data_2lxf_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 2lxf _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.97 0.891 . . . . 64.33 110.703 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.4 m -100.01 155.01 17.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.751 -1.113 . . . . 74.34 110.966 -173.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.4 m -148.71 131.83 16.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.509 -0.314 . . . . 74.11 110.504 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -144.1 145.18 31.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.626 -0.509 . . . . 74.5 109.626 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.654 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 78.3 m -85.77 138.35 32.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.056 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -111.88 144.25 41.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.628 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -155.2 111.64 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.27 -0.641 . . . . 74.33 109.27 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.9 p -115.11 145.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.365 -0.379 . . . . 72.44 110.264 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p -103.83 146.67 28.29 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.791 -0.818 . . . . 74.2 108.791 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.102 0 C-N-CA 120.252 -0.975 . . . . 41.4 113.321 -174.258 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' HB3' HG12 ' A' ' 119' ' ' ILE . 4.6 t80 . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 109.915 -0.402 . . . . 74.42 109.915 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' HB2' ' HG ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -69.78 96.4 0.98 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.121 0.415 . . . . 74.22 112.121 -177.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.593 ' NH1' ' HB3' ' A' ' 118' ' ' GLU . 9.4 ttt85 -51.81 -28.91 17.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.056 -0.52 . . . . 70.43 110.439 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 40.4 ttmt -51.16 -68.9 0.13 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.583 175.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -69.62 -30.65 68.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.506 . . . . 73.2 111.239 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.6 m -63.73 -51.05 66.69 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.924 0.393 . . . . 73.23 110.628 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -70.83 -37.21 73.18 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.737 -0.468 . . . . 52.34 109.737 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HB3' ' HZ1' ' A' ' 55' ' ' LYS . 8.5 mtpm? -57.54 -42.24 82.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.067 -0.346 . . . . 65.33 110.067 175.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.41 -53.47 56.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.907 -0.588 . . . . 63.1 110.054 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' HE2' ' A' ' 88' ' ' PHE . . . -60.12 -42.65 95.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.571 -0.741 . . . . 74.43 111.354 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -67.2 -38.34 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 61.14 110.826 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.64 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 73.43 111.084 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.63 -3.56 58.21 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.101 -0.499 . . . . 74.52 111.46 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t 68.38 42.43 1.63 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.914 0.388 . . . . 74.53 111.51 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.84 144.21 27.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.911 0.386 . . . . 73.12 110.312 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.9 m -120.76 161.94 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 63.31 109.284 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.47 -135.16 5.82 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.392 -0.683 . . . . 63.55 111.392 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.03 147.2 5.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.089 0.444 . . . . 74.34 111.307 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.3 t -138.81 145.29 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.486 -0.324 . . . . 72.34 110.617 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.652 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.7 t -156.77 161.8 39.77 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 62.0 110.422 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.696 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.0 t-20 -94.65 154.4 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.662 -0.866 . . . . 73.4 108.662 173.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -118.18 158.75 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.676 0.274 . . . . 74.0 110.886 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.13 -21.92 66.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.92 -0.582 . . . . 73.5 109.728 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -19.61 66.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.567 -0.742 . . . . 73.01 110.199 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.3 -35.1 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.541 -0.754 . . . . 64.4 111.37 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.8 p -69.44 152.16 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.144 0.497 . . . . 74.3 111.726 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -102.25 119.24 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.102 -0.703 . . . . 61.55 109.102 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -120.95 172.22 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 50.11 110.89 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.73 -164.33 36.29 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.611 -0.596 . . . . 53.55 111.611 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -140.63 136.72 35.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 116.953 0.376 . . . . 74.14 110.039 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.7 t -112.14 136.69 47.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 O-C-N 123.559 0.537 . . . . 73.44 110.183 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.6 mt-30 -135.69 148.96 49.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 75.34 109.365 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.01 -170.61 28.63 Favored Glycine 0 CA--C 1.511 -0.196 0 N-CA-C 111.041 -0.824 . . . . 73.2 111.041 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 9.7 Cg_endo -54.13 142.49 66.36 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 121.99 1.793 . . . . 73.32 111.307 175.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -43.8 -51.99 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.463 -0.789 . . . . 71.14 111.16 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 5.9 pt-20 -70.71 -31.68 68.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 53.44 112.124 -171.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.577 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -73.06 -38.79 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 73.41 110.357 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -57.77 -41.61 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 108.736 -0.838 . . . . 73.43 108.736 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 8.0 t70 -57.75 -46.09 84.98 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.357 -0.838 . . . . 72.04 110.19 173.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.12 75.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.041 0.448 . . . . 62.15 110.519 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.451 ' HE2' ' HB3' ' A' ' 57' ' ' ALA . 7.8 t80 -69.49 -42.95 74.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.726 -0.67 . . . . 74.13 110.845 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 86' ' ' ASP . 7.4 p -67.72 -35.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 71.34 110.435 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 31.1 mmtp -64.63 -39.28 93.42 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.45 -0.574 . . . . 73.32 109.45 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -61.47 -42.46 98.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.728 -0.669 . . . . 72.24 109.857 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.44 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.74 -31.49 72.69 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.85 -0.614 . . . . 60.14 110.416 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -64.89 -29.19 70.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.997 0.427 . . . . 73.34 110.624 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.88 -35.97 20.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.966 -0.561 . . . . 75.41 109.779 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.37 -162.92 39.83 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.419 -0.809 . . . . 31.54 111.818 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.505 ' HB3' ' OG ' ' A' ' 99' ' ' SER . 15.4 t -81.78 140.55 47.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.644 -0.873 . . . . 75.45 108.644 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -48.58 -35.57 29.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.257 2.638 . . . . 63.34 113.59 -173.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.76 14.29 25.67 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.064 0.394 . . . . 75.23 112.064 -174.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 96' ' ' SER . 78.0 p -115.07 102.65 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.659 -0.497 . . . . 74.13 109.659 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.41 99.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 75.45 110.184 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.66 131.67 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.852 -0.613 . . . . 73.33 110.896 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -84.23 -57.97 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 64.2 110.401 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -153.7 137.44 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 72.44 109.87 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -100.44 140.52 19.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 109.959 -0.386 . . . . 63.52 109.959 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 m -137.74 121.99 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.92 -0.4 . . . . 74.04 109.92 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.0 mm -113.28 160.47 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.182 -0.673 . . . . 72.12 109.182 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 23.6 t-80 -139.31 144.52 38.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.145 0.498 . . . . 72.44 110.721 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 6.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.599 1.333 . . . . 71.54 114.599 -171.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.654 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.3 130.22 45.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.518 0.675 . . . . 75.32 111.628 -166.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.7 t -69.38 178.51 2.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.401 -1.272 . . . . 73.01 111.759 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -43.21 130.28 4.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.939 -1.028 . . . . 70.34 112.957 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.09 176.3 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.777 -1.102 . . . . 64.31 108.729 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -98.62 121.43 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.26 -0.274 . . . . 74.32 110.26 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.74 151.89 10.43 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.999 -0.546 . . . . 61.52 112.012 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -135.89 -38.21 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.363 -0.381 . . . . 74.33 111.59 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 144.85 142.32 3.84 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.585 -0.817 . . . . 52.42 113.49 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -93.69 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.516 -0.55 . . . . 64.33 109.516 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.593 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 11.5 pt-20 -162.79 120.35 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 71.34 111.088 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.696 HG23 ' HB2' ' A' ' 68' ' ' ASN . 2.1 mp -64.75 86.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.527 0.679 . . . . 72.11 110.017 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.652 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.5 mtt180 -78.31 139.02 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.044 -0.98 . . . . 74.21 110.255 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 115.414 -0.812 . . . . 75.33 109.696 -172.481 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 110.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -118.8 138.79 52.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 74.34 109.614 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -143.45 133.8 24.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.812 -0.44 . . . . 74.11 109.812 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.14 135.33 28.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 74.5 109.531 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.712 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 84.8 m -88.19 135.12 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.226 -0.657 . . . . 71.23 109.226 175.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.73 146.77 36.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.076 0.465 . . . . 74.21 111.007 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -153.47 110.77 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.491 -0.929 . . . . 74.33 108.491 169.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 p -120.12 148.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.939 0.399 . . . . 72.44 110.896 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 31.1 p -101.19 148.27 25.29 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.262 0 C-N-CA 120.893 -0.67 . . . . 41.4 112.926 -177.081 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.811 0.339 . . . . 74.42 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' HD2' ' HB3' ' A' ' 96' ' ' SER . 81.0 m-85 -97.84 116.19 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 74.22 109.366 173.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -49.26 -41.1 36.75 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.239 0.615 . . . . 70.43 111.48 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -63.1 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 63.52 110.983 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' HB3' ' HH ' ' A' ' 91' ' ' TYR . 10.4 m-85 -74.11 -38.09 63.93 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.475 -0.33 . . . . 73.2 110.555 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -60.58 -47.07 87.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.158 -0.474 . . . . 73.23 109.916 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.687 ' HZ2' ' HB3' ' A' ' 54' ' ' LYS . 4.7 mmmp? -66.34 -42.82 87.58 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 115.804 -0.634 . . . . 52.34 110.683 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.96 -52.38 58.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.062 0.458 . . . . 65.33 110.509 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -62.27 -52.04 65.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.331 -0.85 . . . . 63.1 110.529 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.95 97.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.542 -0.754 . . . . 74.43 111.43 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.88 -46.32 72.03 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.929 0.395 . . . . 61.14 110.45 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.12 74.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.834 -0.621 . . . . 73.43 111.597 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.72 -11.58 50.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.248 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.7 m 67.84 51.9 0.76 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.353 0.596 . . . . 74.53 111.721 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.74 136.91 32.76 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.672 -0.694 . . . . 73.12 109.355 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 79' ' ' GLN . 22.8 m -111.29 158.78 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.195 -0.668 . . . . 63.31 109.195 175.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.62 -134.25 5.39 Favored Glycine 0 C--O 1.237 0.336 0 N-CA-C 110.852 -0.899 . . . . 63.55 110.852 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 151.34 6.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.087 0.444 . . . . 74.34 111.299 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.9 t -138.88 142.88 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 72.34 110.153 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.503 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 15.2 t -154.34 162.01 41.42 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 123.998 0.811 . . . . 62.0 110.436 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' HB2' HG22 ' A' ' 119' ' ' ILE . 12.0 t-20 -98.0 155.09 17.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.901 0.481 . . . . 73.4 111.075 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.513 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 13.5 m120 -117.24 161.05 20.11 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.198 -0.456 . . . . 74.0 110.413 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -53.5 -43.27 68.13 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.467 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.37 14.12 0.27 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.68 0.622 . . . . 73.01 112.68 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.11 33.82 61.96 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.281 -0.728 . . . . 64.4 111.281 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.513 ' HB2' ' HB2' ' A' ' 69' ' ' ASN . 14.5 m -109.32 171.64 7.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.429 -0.386 . . . . 74.3 110.15 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.53 114.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.079 -0.711 . . . . 61.55 109.079 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.4 p -111.9 162.68 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 50.11 110.529 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.8 -166.21 38.45 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 53.55 112.502 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.9 t -138.16 137.27 44.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.832 -0.432 . . . . 74.14 109.832 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.56 138.58 45.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 109.493 -0.558 . . . . 73.44 109.493 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HB2' HG22 ' A' ' 63' ' ' VAL . 4.9 mt-30 -138.57 134.4 33.78 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.787 -0.449 . . . . 75.34 109.787 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.93 -170.01 35.99 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.241 -0.744 . . . . 73.2 111.241 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.4 Cg_endo -65.51 146.89 86.06 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.143 1.895 . . . . 73.32 111.296 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -46.67 -46.92 20.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 122.951 0.5 . . . . 71.14 111.374 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -43.78 88.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.365 -0.379 . . . . 53.44 111.621 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.491 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.5 mp0 -74.44 -36.18 63.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.586 0.231 . . . . 73.41 110.816 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.05 -34.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.361 -0.607 . . . . 73.43 109.361 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 10.4 t70 -67.08 -39.86 86.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.138 -0.937 . . . . 72.04 109.957 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.27 91.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.229 0.538 . . . . 62.15 110.281 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -66.63 -50.42 63.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.343 -0.844 . . . . 74.13 110.538 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.04 -35.0 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 71.34 109.989 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -60.27 -45.62 92.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.56 -0.745 . . . . 73.32 109.488 177.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.513 ' HH ' ' HB3' ' A' ' 52' ' ' TYR . 58.0 t80 -65.04 -39.4 93.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 72.24 110.275 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -40.11 91.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 60.14 110.389 -177.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.69 -28.78 67.59 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.206 0.526 . . . . 73.34 110.398 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -83.16 -37.54 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.457 -0.792 . . . . 75.41 109.48 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.58 -164.24 51.99 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.197 -1.161 . . . . 31.54 110.197 -169.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 69.1 m -71.52 135.14 84.02 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.403 -0.962 . . . . 75.45 108.403 171.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.02 -23.24 5.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.27 2.647 . . . . 63.34 114.575 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -117.79 10.2 13.19 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.077 0.399 . . . . 75.23 112.077 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.603 ' OG ' ' HB2' ' A' ' 96' ' ' SER . 7.5 p -140.69 108.86 5.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.099 0.476 . . . . 74.13 110.355 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.3 t -77.48 138.59 20.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.715 -0.675 . . . . 75.45 111.48 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.3 m -91.05 146.21 6.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.559 . . . . 73.33 110.729 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.42 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 86.5 tttt -73.39 -53.14 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 64.2 110.333 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -168.16 140.18 2.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.038 -0.528 . . . . 72.44 110.397 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -98.79 148.53 6.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.85 0.357 . . . . 63.52 110.87 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 m -135.33 132.95 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.317 -0.623 . . . . 74.04 109.317 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.8 mm -125.5 153.25 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.655 0.265 . . . . 72.12 110.963 -173.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.6 m170 -132.65 153.99 50.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.802 0.334 . . . . 72.44 110.456 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.54 5.98 22.14 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.849 1.055 . . . . 71.54 113.849 -167.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.712 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.1 m -59.83 137.69 57.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.156 0.503 . . . . 75.32 111.974 -167.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -80.25 178.69 8.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.867 -1.061 . . . . 73.01 111.883 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.83 142.36 11.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.111 -0.949 . . . . 70.34 112.446 -172.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.28 176.29 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.681 -1.145 . . . . 64.31 109.183 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.16 131.65 35.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.629 -0.508 . . . . 74.32 109.629 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.9 153.74 30.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 61.52 111.786 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.39 -50.48 2.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.044 -0.525 . . . . 74.33 110.224 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 146.86 151.62 5.46 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.935 -0.65 . . . . 52.42 113.055 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -93.95 112.32 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.624 -0.51 . . . . 64.33 109.624 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.72 131.17 3.97 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.039 0.447 . . . . 71.34 110.634 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 68' ' ' ASN . 36.4 mm -68.02 86.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.421 0.629 . . . . 72.11 110.579 -176.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.503 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 77.7 mtt180 -90.31 144.54 25.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.273 -0.876 . . . . 74.21 110.305 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.498 -0.763 . . . . 75.33 109.46 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 C--O 1.235 0.311 0 N-CA-C 108.305 -0.998 . . . . 64.33 108.305 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -76.85 111.12 12.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.452 . . . . 74.34 110.017 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.406 HG21 ' HG2' ' A' ' 79' ' ' GLN . 55.8 m -118.1 126.26 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.543 -0.753 . . . . 74.11 110.431 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.06 134.9 28.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.889 -0.782 . . . . 74.5 108.889 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.767 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 44.1 m -87.0 138.29 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.008 -0.367 . . . . 71.23 110.008 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.618 ' HH ' ' HB ' ' A' ' 89' ' ' VAL . 2.3 m-85 -111.79 140.04 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 74.21 110.303 -175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.8 ttp180 -149.31 114.68 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.246 -0.434 . . . . 74.33 109.894 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG12 ' HB ' ' A' ' 74' ' ' VAL . 9.9 p -111.57 142.0 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.021 -0.363 . . . . 72.44 110.021 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -106.67 133.77 50.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.724 -0.472 . . . . 74.2 109.724 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.21 0 C-N-CA 121.162 -0.542 . . . . 41.4 111.772 178.655 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.431 ' HB2' HG22 ' A' ' 74' ' ' VAL . 4.5 t80 . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 108.774 -0.824 . . . . 74.42 108.774 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -117.17 92.8 3.95 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.249 0.547 . . . . 74.22 111.644 -177.266 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -51.91 -42.26 62.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.088 -0.96 . . . . 70.43 111.279 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 39.1 ttmt -55.49 -54.04 48.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.638 -0.71 . . . . 63.52 111.139 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . 18.5 m-85 -74.35 -29.4 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 73.2 111.004 -174.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.9 m -64.14 -46.04 85.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.152 0.501 . . . . 73.23 109.821 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.04 -51.07 71.63 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.554 -0.748 . . . . 52.34 110.174 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 27.5 mtpp -59.53 -41.74 90.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 65.33 111.104 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.73 -55.73 27.1 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.128 0.49 . . . . 63.1 110.145 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.75 89.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.639 -0.709 . . . . 74.43 110.963 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.03 -37.77 84.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 61.14 110.735 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -49.71 21.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.978 -0.555 . . . . 73.43 111.587 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.23 -2.4 58.58 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.213 -0.448 . . . . 74.52 111.981 -175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.8 t 67.87 46.88 1.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.78 0.432 . . . . 74.53 112.006 173.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.38 133.91 45.27 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.679 -0.489 . . . . 73.12 109.679 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -111.88 164.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.507 -0.553 . . . . 63.31 109.507 175.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.59 -129.95 3.49 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.885 -0.674 . . . . 63.55 112.013 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 149.48 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.083 0.441 . . . . 74.34 111.365 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.1 t -138.85 147.88 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.556 -0.293 . . . . 72.34 110.358 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.528 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.1 t -160.67 161.93 32.49 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.666 0.604 . . . . 62.0 110.137 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.751 ' HB2' HG21 ' A' ' 119' ' ' ILE . 3.7 t-20 -95.34 154.01 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.793 -0.447 . . . . 73.4 109.793 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.99 146.7 49.77 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.509 -0.552 . . . . 74.0 109.509 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.28 -4.45 10.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.519 -0.309 . . . . 73.5 111.621 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.29 -2.42 24.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.494 -0.321 . . . . 73.01 110.746 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.48 39.97 20.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.91 -0.876 . . . . 64.4 110.91 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 p -143.32 151.24 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.401 -0.399 . . . . 74.3 110.603 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.431 HG22 ' HB2' ' A' ' 48' ' ' PHE . 24.8 t -110.21 124.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.099 -0.704 . . . . 61.55 109.099 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.4 t -129.91 156.36 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 50.11 110.948 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.53 35.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.003 -0.544 . . . . 53.55 111.961 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.576 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.7 t -136.36 137.84 47.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 122.458 0.303 . . . . 74.14 110.31 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.2 t -114.32 136.46 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 O-C-N 123.795 0.684 . . . . 73.44 109.729 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.439 ' HB2' HG22 ' A' ' 63' ' ' VAL . 4.2 mt-30 -134.71 132.07 38.4 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.295 -0.631 . . . . 75.34 109.295 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.56 -159.45 31.32 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.2 -0.524 . . . . 73.2 111.952 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.6 Cg_endo -70.13 136.65 32.54 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.411 2.074 . . . . 73.32 111.455 174.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.659 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.0 -36.74 13.3 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.713 0.634 . . . . 71.14 112.713 -174.383 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.659 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 5.9 pt-20 -70.84 -39.69 72.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.635 0.235 . . . . 53.44 111.635 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.63 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.7 mp0 -75.02 -34.69 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.269 . . . . 73.41 110.367 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.39 -40.6 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.987 -0.746 . . . . 73.43 108.987 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.567 ' O ' HG12 ' A' ' 89' ' ' VAL . 20.5 t70 -64.98 -35.94 82.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.305 -0.862 . . . . 72.04 110.212 175.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.28 94.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.386 0.613 . . . . 62.15 110.073 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -68.29 -38.25 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 74.13 110.499 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.618 ' HB ' ' HH ' ' A' ' 38' ' ' TYR . 6.4 p -69.37 -35.06 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.607 -0.437 . . . . 71.34 110.339 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.03 -47.18 83.88 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.666 -0.494 . . . . 73.32 109.666 171.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 72.24 110.546 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 60.14 110.589 -178.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -65.87 -21.43 66.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.335 -0.393 . . . . 73.34 111.254 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -72.25 -26.57 62.05 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.378 -0.601 . . . . 75.41 109.378 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.48 -82.71 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.424 -0.807 . . . . 31.54 112.578 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -154.42 113.67 2.45 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 75.45 109.972 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.55 -4.54 11.06 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 63.34 112.764 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 20.8 tptp -121.01 -1.11 9.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.492 -0.322 . . . . 75.23 110.977 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.4 m -144.94 -173.75 4.16 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.833 0.349 . . . . 74.13 111.351 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.0 t -120.09 127.73 75.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.99 -0.55 . . . . 75.45 110.554 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.33 132.76 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.61 -0.515 . . . . 73.33 109.61 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -74.76 -50.31 17.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 64.2 111.423 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.93 140.84 12.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.655 0.264 . . . . 72.44 111.536 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.97 141.82 16.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 63.52 109.793 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 m -137.81 144.58 41.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.643 -0.503 . . . . 74.04 109.643 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mm -124.84 157.02 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.577 -0.527 . . . . 72.12 109.577 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 35.4 t-80 -133.98 147.03 50.96 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.994 0.426 . . . . 72.44 110.346 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.85 6.36 4.09 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.51 1.3 . . . . 71.54 114.51 -169.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.767 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 58.4 m -59.95 130.47 46.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.412 0.625 . . . . 75.32 111.678 -169.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 t -72.84 178.89 3.95 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.821 -1.081 . . . . 73.01 110.819 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.649 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 5.8 tmm_? -46.31 145.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.629 -0.714 . . . . 70.34 112.183 -172.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.649 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 35.3 m -139.79 175.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.843 -1.071 . . . . 64.31 109.422 -177.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -89.03 122.11 32.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.663 -0.495 . . . . 74.32 109.663 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.62 131.95 50.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.439 -0.346 . . . . 61.52 110.468 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.44 -28.95 5.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.629 -0.259 . . . . 74.33 111.134 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.45 141.33 5.04 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.005 -0.617 . . . . 52.42 113.087 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -92.35 111.79 23.49 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.694 -0.854 . . . . 64.33 108.694 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.4 pt-20 -163.74 128.21 2.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 71.34 111.157 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 68' ' ' ASN . 1.7 mp -68.45 88.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.507 0.67 . . . . 72.11 109.847 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.528 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.0 mtt180 -87.68 139.87 30.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.012 -0.995 . . . . 74.21 110.804 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.146 -0.93 . . . . 75.33 109.101 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.993 -0.743 . . . . 64.33 108.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 94.7 m -81.18 128.1 33.39 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.076 -0.965 . . . . 74.34 109.624 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 m -121.44 129.32 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 74.11 110.294 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.35 139.72 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 74.5 109.525 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.3 t -89.86 134.88 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.462 . . . . 71.23 109.751 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -111.8 143.77 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.6 0.36 . . . . 74.21 110.782 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -151.96 110.86 3.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.834 -0.621 . . . . 74.33 109.724 170.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.493 ' HB ' HD13 ' A' ' 92' ' ' LEU . 9.4 p -109.79 140.01 30.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.013 -0.736 . . . . 72.44 109.013 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.486 ' HB ' ' HB3' ' A' ' 102' ' ' LYS . 8.8 m -107.81 149.63 28.0 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 116.372 -0.376 . . . . 74.2 110.088 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 111.154 -0.778 . . . . 41.4 111.154 178.15 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' HB3' HG12 ' A' ' 119' ' ' ILE . 20.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.047 0.451 . . . . 74.42 110.382 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.85 87.88 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.329 -0.851 . . . . 74.22 112.547 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HB3' HD12 ' A' ' 119' ' ' ILE . 30.6 ptt180 -67.33 -23.15 65.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 115.572 -0.74 . . . . 70.43 110.815 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.17 -53.88 53.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.289 0.566 . . . . 63.52 109.874 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.78 -26.61 59.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.547 -0.751 . . . . 73.2 110.443 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -62.0 -43.02 99.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.148 0.499 . . . . 73.23 109.893 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HZ1' ' HB2' ' A' ' 58' ' ' ASP . 27.5 tptp -63.24 -48.6 77.53 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.471 -0.786 . . . . 52.34 109.562 177.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -52.62 -52.01 57.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.778 -0.646 . . . . 65.33 110.696 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.47 -56.65 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 63.1 110.925 -171.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -65.16 -36.55 84.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 74.43 111.127 -176.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' HZ1' ' A' ' 54' ' ' LYS . 15.1 t70 -66.16 -45.04 82.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.836 0.35 . . . . 61.14 110.645 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.27 -47.6 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.902 -0.59 . . . . 73.43 111.316 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.79 -11.05 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.904 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m 68.09 44.22 1.49 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.09 0.471 . . . . 74.53 111.598 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 57' ' ' ALA . 2.8 mm? -78.78 134.02 37.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.654 -0.499 . . . . 73.12 109.654 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.521 HG22 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -105.79 154.1 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.055 -0.72 . . . . 63.31 109.055 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.72 -137.8 7.97 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.275 -0.73 . . . . 63.55 111.275 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.19 150.18 6.32 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.252 0.526 . . . . 74.34 111.386 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -138.68 146.75 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.521 -0.548 . . . . 72.34 109.521 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.435 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 13.5 t -156.63 162.14 39.87 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.034 0.834 . . . . 62.0 110.019 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.732 ' HB2' HG22 ' A' ' 119' ' ' ILE . 3.3 t-20 -103.81 164.55 11.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.915 -0.402 . . . . 73.4 109.915 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.471 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 32.8 m-80 -132.16 148.53 52.47 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.885 -0.413 . . . . 74.0 109.885 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.93 -16.19 27.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.31 0.576 . . . . 73.5 110.619 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.5 -18.92 65.69 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.242 -0.89 . . . . 73.01 110.933 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.06 25.16 20.55 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.207 -0.521 . . . . 64.4 112.038 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.3 p -132.77 146.12 51.57 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.939 0.399 . . . . 74.3 110.66 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 48' ' ' PHE . 57.2 t -102.31 122.26 54.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 61.55 109.352 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.4 p -125.3 155.43 40.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 50.11 110.93 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.83 -167.26 37.47 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.169 -0.772 . . . . 53.55 111.169 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -140.72 135.99 34.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.7 -0.481 . . . . 74.14 109.7 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.47 140.92 31.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.875 -0.417 . . . . 73.44 109.875 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HG3' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -141.24 141.67 33.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 75.34 110.06 176.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.69 -165.46 32.54 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.158 -0.777 . . . . 73.2 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 13.7 Cg_endo -59.31 144.25 99.46 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.355 2.037 . . . . 73.32 111.855 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -48.26 -44.88 33.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 71.14 111.665 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.18 -33.71 72.09 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.541 -0.3 . . . . 53.44 111.688 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.561 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.1 -43.37 53.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 73.41 110.537 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 89' ' ' VAL . 97.1 t -57.55 -44.42 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.028 -0.73 . . . . 73.43 109.028 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.94 -40.54 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.266 -0.879 . . . . 72.04 110.466 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.33 90.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.021 -0.536 . . . . 62.15 110.563 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.487 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.3 t80 -65.44 -39.6 92.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.86 -0.609 . . . . 74.13 109.829 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 85' ' ' VAL . 94.6 t -58.97 -42.34 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.075 0.464 . . . . 71.34 110.149 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -60.47 -47.71 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.606 -0.724 . . . . 73.32 109.661 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.024 -0.989 . . . . 72.24 110.565 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.493 HD13 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.13 -41.77 99.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.75 -0.659 . . . . 60.14 110.398 -177.208 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -72.59 -14.2 61.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.985 -0.552 . . . . 73.34 111.582 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.67 ' HZ1' ' HB2' ' A' ' 94' ' ' LYS . 4.9 ttmp? -69.8 -31.57 69.55 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.376 -0.601 . . . . 75.41 109.376 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.81 179.96 52.1 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.617 -0.72 . . . . 31.54 112.913 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.7 m -82.78 129.86 60.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 109.904 -0.406 . . . . 75.45 109.904 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.62 -21.44 65.45 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.664 2.242 . . . . 63.34 112.912 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -121.33 10.57 10.6 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.542 0.21 . . . . 75.23 111.468 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -150.47 126.98 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 74.13 110.326 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.74 124.96 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 75.45 110.434 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.36 134.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 73.33 110.641 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 64.9 tttm -77.06 -35.11 56.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 64.2 109.633 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.621 ' HB2' ' HZ2' ' A' ' 103' ' ' LYS . 4.1 ttmp? 179.66 142.95 0.15 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.521 -0.763 . . . . 72.44 110.211 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.06 134.48 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.461 -0.57 . . . . 63.52 109.461 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.9 m -135.72 131.54 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.262 -0.273 . . . . 74.04 110.262 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.7 mm -122.13 149.16 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.161 -0.681 . . . . 72.12 109.161 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.4 t60 -132.72 151.69 51.92 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.118 0.485 . . . . 72.44 111.298 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.85 6.15 0.95 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.162 1.385 . . . . 71.54 114.624 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.8 m -59.58 130.28 46.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 0.549 . . . . 75.32 111.559 -165.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -74.83 178.88 5.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.954 -1.021 . . . . 73.01 111.938 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -42.47 120.84 1.78 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.233 1.013 . . . . 70.34 112.361 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.69 176.1 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.621 -0.718 . . . . 64.31 110.395 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.43 131.48 37.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.523 -0.547 . . . . 74.32 109.523 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.26 146.32 47.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.514 -0.312 . . . . 61.52 111.373 -176.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 20.7 t70 -131.96 -45.1 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.842 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.29 141.06 3.63 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.059 -0.591 . . . . 52.42 112.296 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -93.46 112.36 24.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.133 -0.321 . . . . 64.33 110.133 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 67' ' ' THR . 9.7 pt-20 -161.98 136.05 6.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 71.34 110.594 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.732 HG22 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -69.46 86.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.288 -1.005 . . . . 72.11 108.288 174.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.435 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 10.5 ttt85 -82.67 112.4 19.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.496 -1.229 . . . . 74.21 110.299 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.461 -0.781 . . . . 75.33 109.565 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--O 1.234 0.252 0 N-CA-C 109.323 -0.621 . . . . 64.33 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 m -92.12 152.72 19.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.277 -0.874 . . . . 74.34 110.286 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -142.99 131.5 22.34 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.353 -0.61 . . . . 74.11 109.353 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.52 140.77 33.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.653 -0.499 . . . . 74.5 109.653 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.1 t -87.09 133.58 33.6 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.263 -0.643 . . . . 71.23 109.263 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' HH ' HG23 ' A' ' 89' ' ' VAL . 1.8 m-85 -111.58 139.32 47.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.098 -0.334 . . . . 74.21 110.098 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 28.8 ttt180 -156.66 111.06 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 74.33 109.883 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.413 HG23 HG21 ' A' ' 104' ' ' VAL . 14.4 p -108.04 149.75 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 72.44 110.259 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.4 p -113.23 120.83 42.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 74.2 109.83 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 111.015 -0.834 . . . . 41.4 111.015 175.171 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.499 ' HB3' HD13 ' A' ' 119' ' ' ILE . 2.3 t80 . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.705 0.288 . . . . 74.42 110.598 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.2 86.47 0.57 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.438 0.637 . . . . 74.22 111.966 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -48.5 -47.2 39.0 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.004 -0.998 . . . . 70.43 111.975 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -64.46 -36.99 85.98 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.451 -0.34 . . . . 63.52 111.307 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.91 -34.4 59.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.603 -0.271 . . . . 73.2 110.736 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.0 m -62.84 -42.11 99.61 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.325 0.583 . . . . 73.23 109.51 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -56.52 19.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.077 -0.965 . . . . 52.34 110.047 175.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -52.92 -51.92 59.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.737 -0.665 . . . . 65.33 111.168 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.18 -59.47 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 63.1 110.877 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.91 93.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.684 -0.689 . . . . 74.43 111.072 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.11 -36.3 82.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 61.14 110.904 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.52 -49.34 49.23 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.345 -0.389 . . . . 73.43 111.318 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.25 -4.4 59.16 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.505 -0.316 . . . . 74.52 111.264 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t 67.94 40.53 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.105 0.562 . . . . 74.53 111.348 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.12 133.68 37.81 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.585 -0.894 . . . . 73.12 108.585 170.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 79' ' ' GLN . 32.1 m -110.9 156.21 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.734 -0.469 . . . . 63.31 109.734 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.63 6.24 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.906 -0.877 . . . . 63.55 110.906 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.434 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -166.96 149.13 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.236 0.518 . . . . 74.34 111.025 179.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -138.92 142.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.46 -0.336 . . . . 72.34 110.463 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -153.01 161.65 42.28 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.726 0.641 . . . . 62.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.428 ' HB2' HG21 ' A' ' 119' ' ' ILE . 14.9 t-20 -101.7 150.6 22.96 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.862 -0.422 . . . . 73.4 109.862 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -123.54 148.31 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.83 -0.433 . . . . 74.0 109.83 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.65 -22.45 5.11 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.612 0.57 . . . . 73.5 111.774 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.52 -11.72 46.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.85 -0.614 . . . . 73.01 111.537 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.34 0.02 82.94 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.942 -0.647 . . . . 64.4 111.903 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.7 p -103.35 132.6 49.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 110.137 -0.32 . . . . 74.3 110.137 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 48' ' ' PHE . 29.3 t -92.73 128.46 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.72 -0.845 . . . . 61.55 108.72 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.1 p -133.59 149.27 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.003 0.43 . . . . 50.11 111.905 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.02 -166.32 34.29 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.45 -0.796 . . . . 53.55 111.244 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.56 139.09 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.022 0.411 . . . . 74.14 110.1 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 72.4 t -117.57 141.91 34.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.757 -0.46 . . . . 73.44 109.757 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.525 ' HG3' HG21 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -145.32 149.43 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.156 177.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.93 -156.44 26.68 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 111.447 -0.661 . . . . 73.2 111.447 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.3 Cg_endo -64.68 131.62 30.08 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.453 2.102 . . . . 73.32 111.474 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -52.66 -27.69 18.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.333 -0.394 . . . . 71.14 111.478 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.0 -52.22 57.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.293 -0.412 . . . . 53.44 110.917 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -74.41 -35.47 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.702 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 89' ' ' VAL . 96.9 t -59.01 -44.47 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.472 -0.566 . . . . 73.43 109.472 173.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.84 -42.53 99.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.343 -0.844 . . . . 72.04 109.864 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.0 77.86 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.396 -0.82 . . . . 62.15 110.829 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.63 -34.74 74.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.742 -0.663 . . . . 74.13 109.832 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 85' ' ' VAL . 83.2 t -59.08 -50.74 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.173 -0.467 . . . . 71.34 110.468 174.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.78 -46.32 84.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.287 0.565 . . . . 73.32 109.702 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.27 -41.32 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.927 -1.033 . . . . 72.24 110.679 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -35.35 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 60.14 110.292 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -79.85 -11.36 59.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.671 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -76.73 -47.61 21.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.598 -0.519 . . . . 75.41 109.598 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.12 175.05 45.21 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.466 -0.788 . . . . 31.54 113.189 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 m -85.76 139.92 35.39 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 110.187 -0.301 . . . . 75.45 110.187 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.17 -44.26 50.98 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.223 2.615 . . . . 63.34 113.055 -174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -72.37 -26.38 61.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.815 0.34 . . . . 75.23 111.286 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.6 t -109.3 177.28 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 74.13 111.706 -169.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.56 121.44 50.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.312 -0.858 . . . . 75.45 108.984 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.0 m -71.89 112.41 7.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.496 0.665 . . . . 73.33 110.267 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.48 -45.24 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 64.2 110.565 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -160.18 121.34 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 72.44 110.551 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 HG21 HG23 ' A' ' 40' ' ' VAL . 63.1 t -91.31 139.73 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.885 -0.783 . . . . 63.52 108.885 173.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.6 m -137.08 122.52 19.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 74.04 110.189 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 mm -116.83 145.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.86 -0.793 . . . . 72.12 108.86 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 54.6 t60 -128.89 152.7 48.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.361 0.6 . . . . 72.44 111.422 -175.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.58 0.92 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.878 1.271 . . . . 71.54 114.299 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.1 m -59.18 135.41 57.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.476 0.655 . . . . 75.32 111.998 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.1 p -72.12 178.33 3.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.585 -1.189 . . . . 73.01 112.488 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -54.02 134.48 43.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.438 -0.801 . . . . 70.34 112.01 -174.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.04 175.89 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.489 -0.778 . . . . 64.31 109.715 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -84.61 139.94 31.72 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.711 -0.477 . . . . 74.32 109.711 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.28 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 61.52 110.643 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 26.7 t70 -144.46 -47.84 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.572 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.86 143.83 4.06 Favored Glycine 0 C--O 1.239 0.409 0 C-N-CA 120.824 -0.703 . . . . 52.42 112.955 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -91.57 111.49 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.596 -0.89 . . . . 64.33 108.596 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.31 129.04 3.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.746 0.308 . . . . 71.34 110.505 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 48' ' ' PHE . 41.6 mm -66.96 86.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.446 0.641 . . . . 72.11 110.799 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.548 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 50.6 mtt180 -79.24 144.59 34.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.831 -1.077 . . . . 74.21 110.126 175.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.957 -0.565 . . . . 75.33 109.653 179.236 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.571 -0.529 . . . . 64.33 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.7 m -77.12 128.8 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.72 -0.673 . . . . 74.34 110.182 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.427 HG23 ' HG2' ' A' ' 79' ' ' GLN . 93.1 m -124.12 132.11 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.343 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -144.24 134.35 24.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 74.5 109.409 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 50.2 m -87.22 138.51 31.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.953 -0.388 . . . . 71.23 109.953 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.87 144.8 40.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.989 0.423 . . . . 74.21 111.485 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -152.63 110.69 3.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.38 -0.827 . . . . 74.33 109.253 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.85 148.84 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.183 -0.462 . . . . 72.44 109.925 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -110.04 148.9 30.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.324 -0.398 . . . . 74.2 110.462 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.244 0 C-N-CA 121.239 -0.505 . . . . 41.4 111.864 178.477 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HB3' HG12 ' A' ' 119' ' ' ILE . 28.3 t80 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 108.712 -0.847 . . . . 74.42 108.712 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.481 ' HD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -58.02 82.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.932 0.715 . . . . 74.22 112.932 -174.64 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HB2' HD12 ' A' ' 119' ' ' ILE . 55.0 ttp180 -58.14 -30.68 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.179 -0.919 . . . . 70.43 111.356 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -52.0 67.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.146 0.498 . . . . 63.52 110.403 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -78.5 -24.26 45.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.2 110.894 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -63.8 -45.9 87.6 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.454 -0.572 . . . . 73.23 109.454 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.63 -50.57 72.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.436 -0.802 . . . . 52.34 110.031 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -52.79 -52.21 57.69 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.233 -0.44 . . . . 65.33 111.08 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.31 -59.99 4.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 63.1 110.736 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.69 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 74.43 111.414 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -73.77 -40.95 63.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.885 0.374 . . . . 61.14 110.64 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.29 71.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.12 -0.491 . . . . 73.43 111.133 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.505 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 61.0 mt -90.85 -10.04 44.15 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.257 -0.429 . . . . 74.52 111.752 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m 68.59 45.82 1.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.257 -0.429 . . . . 74.53 111.762 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.19 133.67 34.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.659 -0.867 . . . . 73.12 108.659 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.3 m -112.6 161.02 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.883 -0.414 . . . . 63.31 109.883 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.93 -132.06 4.38 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.251 -0.74 . . . . 63.55 111.251 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.15 148.21 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.199 0.499 . . . . 74.34 111.057 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -138.94 144.79 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.246 -0.434 . . . . 72.34 110.383 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.601 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -156.2 161.9 40.24 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.813 0.845 . . . . 62.0 109.48 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' CB ' HG21 ' A' ' 119' ' ' ILE . 28.9 t-20 -120.24 159.48 24.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.788 0.327 . . . . 73.4 110.621 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -127.54 162.59 26.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 74.0 110.388 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.54 -26.14 12.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.771 -0.65 . . . . 73.5 112.285 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.37 -3.31 16.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.548 -0.297 . . . . 73.01 111.178 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.47 67.71 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.004 -0.838 . . . . 64.4 111.004 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.6 p -103.52 130.32 50.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.357 -0.421 . . . . 74.3 110.813 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.25 115.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -123.12 153.68 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.386 -0.37 . . . . 50.11 110.967 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.48 -159.67 31.41 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.777 -0.529 . . . . 53.55 111.777 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.5 t -140.58 140.62 33.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.936 -0.394 . . . . 74.14 109.936 178.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.92 142.75 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.36 -0.607 . . . . 73.44 109.36 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.474 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.7 mt-30 -143.51 135.5 26.69 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.458 -0.571 . . . . 75.34 109.458 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.11 -163.7 32.96 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.845 -0.693 . . . . 73.2 112.253 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.2 Cg_endo -66.34 136.17 42.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.37 2.046 . . . . 73.32 110.982 177.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -20.87 35.26 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.714 0.265 . . . . 71.14 111.714 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.88 -51.74 56.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.438 0.637 . . . . 53.44 110.327 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.546 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.6 mp0 -75.24 -30.71 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.248 -0.887 . . . . 73.41 110.853 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.36 -40.11 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.401 -0.592 . . . . 73.43 109.401 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 89' ' ' VAL . 14.0 t70 -59.98 -47.35 86.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.874 173.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.54 -43.26 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.39 -0.823 . . . . 62.15 110.751 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -67.69 -44.95 76.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.461 -0.791 . . . . 74.13 111.063 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' ASP . 9.1 p -64.79 -37.63 80.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.749 0.309 . . . . 71.34 110.333 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.37 -42.59 92.55 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.798 0.332 . . . . 73.32 110.181 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -56.6 -40.75 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 72.24 109.992 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -35.25 76.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.451 -0.795 . . . . 60.14 110.3 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -62.52 -22.46 66.31 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.997 -0.547 . . . . 73.34 111.119 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -73.86 -57.41 4.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.912 0.387 . . . . 75.41 110.121 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.48 33.01 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.864 -0.607 . . . . 31.54 112.68 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.731 ' HB3' ' HB3' ' A' ' 99' ' ' SER . 33.4 t -90.1 141.41 27.85 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 109.57 -0.53 . . . . 75.45 109.57 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.18 -44.83 40.45 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.016 2.477 . . . . 63.34 113.045 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -102.85 5.18 38.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.401 -0.363 . . . . 75.23 111.267 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.731 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.7 t -134.6 81.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.121 -0.696 . . . . 74.13 109.121 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.3 129.89 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.183 -0.917 . . . . 75.45 109.925 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.17 122.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.516 0.674 . . . . 73.33 111.45 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -73.33 -45.56 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.251 -0.886 . . . . 64.2 108.774 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -168.25 137.79 2.47 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.921 -1.036 . . . . 72.44 109.646 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.89 139.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.032 -0.358 . . . . 63.52 110.032 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.3 m -135.72 132.78 37.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.084 -0.339 . . . . 74.04 110.084 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -120.45 151.99 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.677 -0.49 . . . . 72.12 109.677 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 17.2 t60 -130.48 147.62 52.2 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.015 0.436 . . . . 72.44 110.808 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.95 5.51 6.45 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.657 1.355 . . . . 71.54 114.657 -168.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.702 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 61.5 m -59.65 130.21 45.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.429 0.559 . . . . 75.32 112.003 -170.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.2 t -74.29 178.81 4.9 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.286 -0.87 . . . . 73.01 111.487 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -42.79 131.32 4.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.405 -0.816 . . . . 70.34 112.94 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.37 176.31 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.305 -0.861 . . . . 64.31 109.85 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.33 120.89 27.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.338 -0.245 . . . . 74.32 110.338 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.71 155.07 39.05 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.871 0.367 . . . . 61.52 111.387 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.47 -48.6 0.83 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.876 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.16 144.3 3.91 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.995 -0.622 . . . . 52.42 113.048 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -91.44 112.4 24.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.572 -0.529 . . . . 64.33 109.572 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.52 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 9.9 pt-20 -162.86 125.33 2.69 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.972 -0.291 . . . . 71.34 110.95 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 50' ' ' ARG . 1.7 mp -63.76 87.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 72.11 109.838 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.601 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 87.0 mtt180 -84.86 144.67 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.524 -1.216 . . . . 74.21 111.086 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.494 -0.775 . . . . 75.33 109.014 174.647 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.74 -0.467 . . . . 64.33 109.74 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -86.1 110.81 19.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.142 -0.481 . . . . 74.34 109.987 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.458 HG21 ' HG2' ' A' ' 79' ' ' GLN . 85.6 m -119.23 124.43 46.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.76 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 35' ' ' THR . 3.3 mm? -134.29 135.98 43.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.853 -0.795 . . . . 74.5 108.853 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.806 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 36.6 m -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.637 -0.505 . . . . 71.23 109.637 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.64 147.66 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.323 -0.399 . . . . 74.21 111.067 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -157.56 110.78 2.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.419 -0.809 . . . . 74.33 109.346 168.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.39 146.59 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.305 -0.407 . . . . 72.44 109.935 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.1 t -114.15 152.51 31.04 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.301 0.572 . . . . 74.2 110.968 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 CA-C-N 115.08 -0.964 . . . . 41.4 112.419 -176.444 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.092 -0.707 . . . . 74.42 109.092 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -60.47 80.92 0.01 OUTLIER 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.753 0.649 . . . . 74.22 112.753 -176.281 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.588 ' HB2' HG12 ' A' ' 119' ' ' ILE . 31.5 ttp180 -56.14 -42.63 77.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.422 -0.808 . . . . 70.43 111.032 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.36 -52.09 65.88 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.91 -0.586 . . . . 63.52 111.148 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.38 -32.89 64.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.878 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -64.34 -45.7 86.71 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.035 0.445 . . . . 73.23 110.791 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.41 -40.31 77.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 52.34 109.987 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.38 -44.88 84.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.412 0.625 . . . . 65.33 110.175 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.08 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.084 -0.962 . . . . 63.1 110.001 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.08 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.318 -0.855 . . . . 74.43 111.416 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.82 -45.49 92.19 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.511 . . . . 61.14 110.71 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.12 43.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 73.43 111.494 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.8 -4.0 58.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.343 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 67.88 44.61 1.52 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.981 0.513 . . . . 74.53 112.225 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.57 133.88 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.528 -0.545 . . . . 73.12 109.528 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -111.94 160.73 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.294 -0.632 . . . . 63.31 109.294 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -135.27 6.22 Favored Glycine 0 CA--C 1.507 -0.413 0 N-CA-C 110.482 -1.047 . . . . 63.55 110.482 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.23 158.44 11.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.222 0.511 . . . . 74.34 111.349 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' N ' ' HA ' ' A' ' 117' ' ' PHE . 5.5 t -138.69 148.98 23.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.784 -0.45 . . . . 72.34 109.784 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -154.9 161.68 41.35 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 124.437 1.085 . . . . 62.0 109.781 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.504 ' HB2' HG23 ' A' ' 119' ' ' ILE . 15.2 t-20 -95.51 155.6 16.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.789 0.328 . . . . 73.4 110.786 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -121.14 146.37 46.83 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.741 -0.837 . . . . 74.0 108.741 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.88 -13.43 62.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.291 0.567 . . . . 73.5 109.878 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.69 -10.4 36.16 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.53 -0.759 . . . . 73.01 111.09 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.6 26.33 39.19 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 110.817 -0.913 . . . . 64.4 110.817 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -127.21 146.96 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.24 -0.48 . . . . 74.3 110.475 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.23 121.28 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.35 -0.611 . . . . 61.55 109.35 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -117.95 161.33 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 50.11 110.839 -175.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.23 -165.41 38.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.221 -0.514 . . . . 53.55 111.94 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.537 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 44.2 t -140.62 140.2 34.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.826 -0.435 . . . . 74.14 109.826 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.77 140.39 41.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 109.287 -0.634 . . . . 73.44 109.287 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.458 ' HG2' HG21 ' A' ' 35' ' ' THR . 3.8 mt-30 -141.93 132.16 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.489 -0.56 . . . . 75.34 109.489 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.32 33.9 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.928 -0.469 . . . . 73.2 111.928 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.85 136.24 34.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.697 2.265 . . . . 73.32 110.96 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -22.66 16.26 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.368 0.507 . . . . 71.14 112.368 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.18 -51.25 32.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.145 0.498 . . . . 53.44 110.178 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.63 -33.01 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 73.41 109.998 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.8 t -60.35 -43.44 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.263 -0.643 . . . . 73.43 109.263 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.51 -37.78 87.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.042 -0.526 . . . . 72.04 110.183 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.72 87.86 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.245 0.545 . . . . 62.15 110.135 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -70.74 -36.85 73.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.324 -0.853 . . . . 74.13 110.278 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.9 t -62.18 -47.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.79 -0.448 . . . . 71.34 109.79 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 55.5 tptt -57.45 -44.11 84.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 73.32 109.922 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.725 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 57.4 t80 -61.77 -38.89 89.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.732 -0.667 . . . . 72.24 110.431 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -42.51 85.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 60.14 110.117 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.88 -25.22 67.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.954 -0.566 . . . . 73.34 110.878 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.725 ' HD3' ' HA ' ' A' ' 91' ' ' TYR . 53.8 mtpt -63.46 -46.51 85.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.704 -0.48 . . . . 75.41 109.704 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.03 -179.35 38.92 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.662 -0.699 . . . . 31.54 112.862 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.542 ' HB3' ' HB2' ' A' ' 99' ' ' SER . 41.6 t -72.51 145.94 88.19 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.273 -0.269 . . . . 75.45 110.273 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 18.4 Cg_exo -67.09 -24.18 45.22 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.69 2.26 . . . . 63.34 112.312 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.56 -26.58 7.01 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.203 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 96' ' ' SER . 4.4 m -101.96 99.72 9.93 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.815 -0.439 . . . . 74.13 109.815 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 60.2 t -73.24 134.2 30.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.368 -0.378 . . . . 75.45 109.994 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.55 149.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 73.33 110.776 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.513 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -97.63 -36.84 10.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 64.2 110.267 177.603 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -169.26 138.01 1.99 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.672 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 p -106.67 133.87 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 63.52 109.683 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.4 m -128.92 120.4 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.63 -0.507 . . . . 74.04 109.63 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' A' ' 36' ' ' LEU . 21.6 mm -111.11 154.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.211 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.5 m-70 -126.53 145.81 50.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.919 0.39 . . . . 72.44 110.559 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 5.71 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.342 1.057 . . . . 71.54 113.324 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.806 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 51.4 m -59.95 138.59 57.8 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.179 0.514 . . . . 75.32 112.06 -168.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 p -81.28 178.75 8.2 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.969 -1.014 . . . . 73.01 112.692 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -44.21 132.4 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.161 0.985 . . . . 70.34 112.933 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.18 176.06 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.616 -0.72 . . . . 64.31 110.546 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -76.74 123.5 26.27 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.013 -0.366 . . . . 74.32 110.013 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.59 138.91 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 61.52 111.201 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 -52.23 2.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 74.33 110.555 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.03 146.4 4.31 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.023 -0.535 . . . . 52.42 112.412 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.419 ' HA ' ' N ' ' A' ' 66' ' ' VAL . 13.7 m-85 -90.31 112.07 23.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.181 -0.674 . . . . 64.33 109.181 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 10.0 pt-20 -154.52 169.78 22.99 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.587 -0.445 . . . . 71.34 110.844 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.588 HG12 ' HB2' ' A' ' 50' ' ' ARG . 33.6 mm -100.95 86.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.496 0.665 . . . . 72.11 109.906 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.477 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 51.7 mtt85 -80.4 140.72 35.89 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.872 -1.058 . . . . 74.21 109.955 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.785 -0.82 . . . . 75.33 108.785 178.693 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 107.98 -1.119 . . . . 64.33 107.98 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.6 m -76.86 124.46 27.76 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.901 -1.045 . . . . 74.34 110.122 -171.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.447 HG21 ' HG2' ' A' ' 79' ' ' GLN . 91.2 m -121.88 126.33 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.75 -0.659 . . . . 74.11 109.863 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -140.7 133.15 28.47 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.26 -0.644 . . . . 74.5 109.26 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 29.9 t -85.29 137.89 32.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.829 -0.434 . . . . 71.23 109.829 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.453 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 5.1 m-85 -111.32 145.64 38.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.845 0.355 . . . . 74.21 110.634 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -154.97 110.81 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 74.33 109.676 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 103' ' ' LYS . 10.6 p -119.05 145.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.73 -0.47 . . . . 72.44 109.73 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 p -107.73 118.9 37.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.368 . . . . 74.2 110.395 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 C-N-CA 120.962 -0.637 . . . . 41.4 111.626 178.152 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' HD2' HD13 ' A' ' 119' ' ' ILE . 7.6 t80 . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 108.233 -1.025 . . . . 74.42 108.233 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.651 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . 5.0 p90 -71.56 75.4 0.8 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.783 0.801 . . . . 74.22 112.398 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.607 ' NH1' ' HB2' ' A' ' 118' ' ' GLU . 4.3 tpt180 -59.09 151.84 21.53 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.041 -0.982 . . . . 70.43 108.843 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.2 mttp 71.32 -62.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.855 0.462 . . . . 63.52 110.149 -170.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.651 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . 57.5 m-85 -55.13 -33.93 63.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 73.2 112.007 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.477 ' HG1' ' HD1' ' A' ' 49' ' ' PHE . 10.4 m -55.23 -53.57 54.35 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.445 0.64 . . . . 73.23 110.564 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -71.19 -40.83 70.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.38 -0.827 . . . . 52.34 109.042 -176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 11.8 tmtt? -53.47 -52.0 60.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.725 . . . . 65.33 110.532 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 54.7 tp10 -65.88 -52.25 51.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.011 -0.54 . . . . 63.1 110.452 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.89 -48.14 78.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 74.43 110.619 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.08 -36.31 83.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 61.14 111.032 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.67 -47.66 58.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.358 -0.383 . . . . 73.43 111.274 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.83 -3.36 56.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.312 -0.404 . . . . 74.52 110.704 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.2 t 68.86 37.98 2.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.836 -0.62 . . . . 74.53 111.539 172.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.2 133.52 33.64 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.945 -0.761 . . . . 73.12 108.945 169.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.429 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.5 m -109.47 163.55 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.473 -0.566 . . . . 63.31 109.473 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 -135.18 6.77 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 111.171 -0.772 . . . . 63.55 111.171 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.08 148.95 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.027 0.413 . . . . 74.34 111.294 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 t -138.74 142.01 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.735 -0.469 . . . . 72.34 109.735 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.589 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -148.64 161.73 41.13 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 124.08 0.862 . . . . 62.0 109.659 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.421 ' HB2' HG22 ' A' ' 119' ' ' ILE . 4.3 t-20 -100.63 155.76 17.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.577 -0.527 . . . . 73.4 109.577 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.5 m-80 -119.73 150.54 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.769 -0.826 . . . . 74.0 108.769 176.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.72 -4.08 21.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.324 0.583 . . . . 73.5 110.285 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.97 -7.86 53.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.706 -0.679 . . . . 73.01 110.207 172.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.19 4.63 71.23 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.909 -0.587 . . . . 64.4 111.735 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 p -106.68 135.62 47.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 74.3 110.942 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.3 t -96.42 129.42 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.809 -0.811 . . . . 61.55 108.809 173.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.8 m -137.94 151.41 47.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.049 0.452 . . . . 50.11 111.231 -175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.87 -164.69 32.07 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.639 -0.71 . . . . 53.55 111.373 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 56.5 t -136.94 140.23 43.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.948 -0.39 . . . . 74.14 109.948 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.06 143.45 28.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.643 -0.503 . . . . 73.44 109.643 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.447 ' HG2' HG21 ' A' ' 35' ' ' THR . 3.8 mt-30 -142.91 134.99 27.17 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.484 -0.562 . . . . 75.34 109.484 -178.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.15 -170.85 38.74 Favored Glycine 0 C--O 1.228 -0.22 0 C-N-CA 121.096 -0.573 . . . . 73.2 111.986 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 18.8 Cg_endo -60.66 147.03 96.12 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.309 2.006 . . . . 73.32 111.638 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.5 tmtm? -47.2 -47.81 24.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.11 -0.496 . . . . 71.14 111.482 -176.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.67 -35.54 77.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 53.44 111.831 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.537 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.16 -38.61 60.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.698 0.285 . . . . 73.41 110.659 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.85 -38.02 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.289 -0.634 . . . . 73.43 109.289 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' O ' HG12 ' A' ' 89' ' ' VAL . 4.5 t70 -65.93 -36.88 84.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.095 -0.957 . . . . 72.04 109.236 177.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.76 96.89 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.596 -0.729 . . . . 62.15 110.43 174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -65.98 -45.6 81.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 74.13 110.931 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' HB ' ' OH ' ' A' ' 38' ' ' TYR . 8.6 p -66.73 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 120.983 0.42 . . . . 71.34 110.318 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -63.06 -42.24 99.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 73.32 109.996 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.8 -40.98 88.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.498 -0.773 . . . . 72.24 110.388 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.924 -0.58 . . . . 60.14 110.062 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -64.77 -11.06 32.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.059 -0.519 . . . . 73.34 111.762 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.663 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 3.0 mmmp? -83.23 -19.47 36.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.852 0.358 . . . . 75.41 110.496 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.47 -168.29 51.21 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.111 -0.495 . . . . 31.54 112.665 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.704 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 17.8 m -103.23 145.26 30.26 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 109.962 -0.384 . . . . 75.45 109.962 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.72 -47.02 10.04 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.473 2.782 . . . . 63.34 114.262 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -108.52 10.36 27.23 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.895 0.332 . . . . 75.23 111.895 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.704 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.8 t -115.8 148.62 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.032 0.444 . . . . 74.13 110.96 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.1 109.78 29.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.775 -0.648 . . . . 75.45 109.701 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.4 m -81.25 111.48 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 73.33 110.409 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.69 -54.7 7.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 64.2 109.653 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.773 ' HZ1' ' HB3' ' A' ' 103' ' ' LYS . 8.9 mtpm? -134.4 124.97 26.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.667 -0.697 . . . . 72.44 110.47 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.1 p -105.78 109.04 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.513 -0.921 . . . . 63.52 108.513 170.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -122.09 130.94 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.138 -169.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.3 mm -114.09 152.35 15.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.243 -0.651 . . . . 72.12 109.243 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.4 t60 -131.95 147.31 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.094 0.473 . . . . 72.44 110.814 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.17 6.54 0.94 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.803 1.409 . . . . 71.54 114.803 -171.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.9 m -59.5 130.11 45.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.194 0.521 . . . . 75.32 111.276 -169.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 p -78.26 178.41 7.66 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.16 -0.927 . . . . 73.01 111.956 -173.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -48.13 139.15 8.61 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.022 0.749 . . . . 70.34 113.022 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.42 176.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.023 -0.989 . . . . 64.31 109.71 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -85.31 139.2 31.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.835 -0.432 . . . . 74.32 109.835 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.3 159.55 28.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 61.52 111.592 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -138.4 -45.76 0.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.105 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.4 139.58 3.12 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.843 -0.694 . . . . 52.42 112.913 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.39 112.17 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.924 -0.399 . . . . 64.33 109.924 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HB2' ' NH1' ' A' ' 50' ' ' ARG . 10.6 pt-20 -162.7 136.22 6.05 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.558 -0.457 . . . . 71.34 111.211 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.478 HD13 ' HD2' ' A' ' 48' ' ' PHE . 30.8 mm -70.44 86.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.621 0.724 . . . . 72.11 109.657 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.589 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 59.9 mtt180 -73.78 123.66 24.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.9 -1.046 . . . . 74.21 111.469 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 C--O 1.252 1.197 0 CA-C-N 114.424 -1.262 . . . . 75.33 108.862 -177.205 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.544 0.211 . . . . 64.33 110.702 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -95.39 142.38 27.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.545 -0.539 . . . . 74.34 109.545 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.501 HG23 ' HG2' ' A' ' 79' ' ' GLN . 62.3 m -148.98 132.27 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.657 0.265 . . . . 74.11 110.868 -177.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -146.28 142.63 28.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.294 -0.632 . . . . 74.5 109.294 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 34.9 m -85.39 137.71 32.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.451 -0.341 . . . . 71.23 110.179 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.83 139.64 47.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.289 -0.414 . . . . 74.21 110.144 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -147.26 123.3 10.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 74.33 109.823 175.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' HB ' HD11 ' A' ' 92' ' ' LEU . 13.5 p -136.46 150.64 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.562 -0.29 . . . . 72.44 110.884 -174.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 p -98.8 117.37 33.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.613 0.244 . . . . 74.2 111.2 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.439 0 N-CA-C 111.021 -0.832 . . . . 41.4 111.021 175.161 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.469 ' HB2' HG21 ' A' ' 74' ' ' VAL . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.465 -0.569 . . . . 74.42 109.465 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -83.83 109.41 17.53 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.18 0.514 . . . . 74.22 111.633 -177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -52.91 -27.02 16.8 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.043 -0.98 . . . . 70.43 110.847 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.43 -63.01 1.42 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.433 -0.348 . . . . 63.52 110.962 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -63.66 -36.95 85.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.101 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 m -61.23 -41.77 97.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.22 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.62 -45.99 87.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.411 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.7 -51.16 69.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.275 -0.42 . . . . 65.33 111.097 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.87 -54.76 42.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.285 0.564 . . . . 63.1 110.244 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.5 90.9 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.63 -0.714 . . . . 74.43 111.735 -175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.5 -43.98 53.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 61.14 110.684 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.01 85.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 73.43 111.142 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 -12.54 31.13 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.9 0.381 . . . . 74.52 110.982 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 m 65.83 61.57 0.65 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.236 -0.438 . . . . 74.53 111.434 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 140.9 30.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.322 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.2 m -112.41 151.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.93 -0.767 . . . . 63.31 108.93 173.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.47 -138.94 6.82 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.991 -0.843 . . . . 63.55 110.991 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 148.02 5.67 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 117.429 0.615 . . . . 74.34 111.423 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -139.04 144.9 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.501 -0.318 . . . . 72.34 110.724 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.546 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -153.71 161.86 41.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.091 0.956 . . . . 62.0 109.229 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.638 ' HB2' HG22 ' A' ' 119' ' ' ILE . 29.1 t-20 -102.4 153.85 19.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.849 -0.426 . . . . 73.4 109.849 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -118.53 158.69 24.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.771 -0.455 . . . . 74.0 109.771 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.24 -24.87 60.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.951 0.405 . . . . 73.5 111.257 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -68.02 -7.53 29.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.191 -0.459 . . . . 73.01 111.468 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.11 3.29 76.29 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.424 -0.671 . . . . 64.4 111.424 -175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -91.79 129.12 37.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.596 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 48' ' ' PHE . 35.9 t -92.69 114.88 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.687 -0.857 . . . . 61.55 108.687 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 m -122.02 157.33 31.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.549 -0.296 . . . . 50.11 110.653 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.95 -161.72 33.0 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.265 -0.493 . . . . 53.55 112.477 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.537 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 62.1 t -139.98 135.42 37.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 122.867 0.467 . . . . 74.14 110.392 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.11 134.46 53.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 123.717 0.636 . . . . 73.44 109.685 173.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.501 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.3 mt-30 -136.29 153.53 51.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.229 -0.442 . . . . 75.34 109.992 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.91 -159.12 25.42 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.842 -0.503 . . . . 73.2 111.842 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 134.6 33.84 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.246 1.964 . . . . 73.32 110.758 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -56.74 -20.7 23.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.154 0.427 . . . . 71.14 112.154 -173.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 32.7 mt-10 -67.28 -51.72 49.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.78 0.8 . . . . 53.44 109.899 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.89 -29.68 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.293 -0.867 . . . . 73.41 110.445 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.88 -41.44 90.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.039 -0.726 . . . . 73.43 109.039 170.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.481 ' HA ' HG11 ' A' ' 89' ' ' VAL . 19.6 t70 -64.38 -35.36 80.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.973 -0.558 . . . . 72.04 110.604 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' A' ' 90' ' ' LYS . . . -63.72 -41.47 98.06 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.099 0.476 . . . . 62.15 110.827 175.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -68.13 -42.5 80.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 74.13 110.428 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 86' ' ' ASP . 9.7 p -64.27 -34.59 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 110.013 -0.365 . . . . 71.34 110.013 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 87' ' ' ALA . 13.8 ttpp -53.35 -53.34 52.57 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.105 -0.702 . . . . 73.32 109.105 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.0 t80 -59.47 -39.87 85.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.519 -0.764 . . . . 72.24 110.81 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.464 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -65.19 -41.25 94.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.68 0.276 . . . . 60.14 110.393 -176.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -61.93 -31.3 71.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.013 0.435 . . . . 73.34 110.539 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.05 -23.27 26.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.704 . . . . 75.41 110.269 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' TYR . . . 56.57 -159.7 8.56 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.038 -0.825 . . . . 31.54 111.038 -171.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 98' ' ' LYS . 53.3 m -74.91 118.05 67.41 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 107.857 -1.164 . . . . 75.45 107.857 168.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 9.69 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.881 0 C-N-CA 123.204 2.603 . . . . 63.34 114.44 -168.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 96' ' ' SER . 21.3 tptm -118.95 -22.69 7.18 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.062 0.458 . . . . 75.23 109.988 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -92.02 -179.1 5.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.928 -0.578 . . . . 74.13 110.48 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.87 105.07 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 110.143 -0.317 . . . . 75.45 110.143 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.38 119.68 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.393 -0.595 . . . . 73.33 109.393 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -87.97 -41.42 13.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 64.2 111.874 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.788 ' HZ1' ' HB3' ' A' ' 103' ' ' LYS . 6.9 ttpm? -147.99 135.43 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.602 0.239 . . . . 72.44 111.267 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.86 142.4 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.451 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.0 m -138.18 139.15 39.21 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.46 -0.57 . . . . 74.04 109.46 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.1 mm -126.48 148.67 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.074 -0.343 . . . . 72.12 110.074 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 10.1 t-80 -128.36 143.12 50.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.846 0.355 . . . . 72.44 110.619 -176.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.58 6.28 3.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -170.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.607 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 67.8 m -59.84 138.86 57.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.422 0.629 . . . . 75.32 112.367 -167.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.3 m -71.37 178.38 3.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.647 -1.16 . . . . 73.01 112.548 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -59.23 136.3 57.91 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.159 -0.928 . . . . 70.34 112.24 -174.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.84 175.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.58 -0.736 . . . . 64.31 110.015 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.19 126.84 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.995 -0.372 . . . . 74.32 109.995 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.97 147.93 50.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.228 -0.442 . . . . 61.52 111.724 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.541 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 8.7 t70 -121.31 -43.34 2.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.937 -0.574 . . . . 74.33 110.703 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.49 141.43 4.08 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.261 -0.495 . . . . 52.42 112.657 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.08 111.93 23.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.452 -0.573 . . . . 64.33 109.452 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.7 pt-20 -162.72 127.33 3.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 71.34 110.474 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 68' ' ' ASN . 1.8 mp -66.76 86.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.618 0.723 . . . . 72.11 110.022 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.546 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.9 mtt180 -81.38 144.33 31.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.737 -1.12 . . . . 74.21 110.8 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.71 -0.662 . . . . 75.33 109.337 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.801 0.334 . . . . 64.33 110.225 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.4 m -94.58 146.27 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.782 -0.451 . . . . 74.34 109.782 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' A' ' 79' ' ' GLN . 76.2 m -147.29 134.74 20.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.275 -0.268 . . . . 74.11 110.275 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.46 142.9 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.348 -0.612 . . . . 74.5 109.348 172.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.539 ' SG ' HG21 ' A' ' 77' ' ' VAL . 63.6 m -89.07 143.1 27.09 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.93 -0.396 . . . . 71.23 109.93 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.442 ' HH ' HG23 ' A' ' 89' ' ' VAL . 1.3 m-85 -111.73 139.24 47.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.769 -0.456 . . . . 74.21 109.769 -178.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -146.82 111.27 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 74.33 108.819 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.11 145.62 32.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.481 0.658 . . . . 72.44 111.001 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.406 HG22 ' HB3' ' A' ' 73' ' ' SER . 36.8 p -118.66 132.81 56.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.067 -1.086 . . . . 74.2 108.067 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.822 0 C-N-CA 119.962 -1.113 . . . . 41.4 113.293 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 109.93 -0.396 . . . . 74.42 109.93 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' A' ' 99' ' ' SER . 3.7 p90 4.07 76.96 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.204 1.402 . . . . 74.22 114.372 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 119' ' ' ILE . 64.9 ttt180 -65.55 -19.49 65.94 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.99 -0.55 . . . . 70.43 109.902 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.87 -59.38 5.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.902 -0.59 . . . . 63.52 110.013 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -72.7 -38.07 67.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.67 -0.695 . . . . 73.2 110.887 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.2 m -58.12 -46.73 85.08 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.016 0.436 . . . . 73.23 110.583 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -65.06 -47.14 78.36 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.906 -0.588 . . . . 52.34 110.14 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -52.47 -51.53 58.88 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.304 0.377 . . . . 65.33 110.49 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.38 -57.41 12.89 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.657 -0.702 . . . . 63.1 110.782 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.75 96.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.685 -0.689 . . . . 74.43 111.562 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.96 -36.19 81.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 61.14 111.018 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.96 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.482 -0.326 . . . . 73.43 111.321 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 78.0 mt -89.27 -8.04 54.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.939 0.348 . . . . 74.52 111.939 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m 67.79 58.81 0.48 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.096 0.558 . . . . 74.53 111.558 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.16 133.93 35.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.903 -0.589 . . . . 73.12 109.501 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.509 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -110.72 152.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.112 -0.329 . . . . 63.31 110.112 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.7 -134.77 4.88 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.238 -0.745 . . . . 63.55 111.238 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.405 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.08 149.56 6.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.168 0.484 . . . . 74.34 110.822 177.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.75 141.96 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 123.179 0.299 . . . . 72.34 110.344 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.67 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 8.8 t -152.25 162.09 41.65 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.849 0.718 . . . . 62.0 109.932 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HB2' HG23 ' A' ' 119' ' ' ILE . 6.4 t30 -110.41 142.33 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 73.4 110.26 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -102.26 149.2 24.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.067 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.9 -24.21 62.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.216 0.531 . . . . 73.5 110.744 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.67 -4.11 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.348 -0.842 . . . . 73.01 111.748 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.86 45.59 7.12 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.072 -0.585 . . . . 64.4 112.017 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' HG22 ' A' ' 41' ' ' THR . 31.8 p -152.55 142.26 21.91 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 110.131 -0.322 . . . . 74.3 110.131 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.34 133.02 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.969 -0.382 . . . . 61.55 109.969 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -135.36 160.39 38.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 50.11 110.683 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.75 -165.78 38.26 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.205 -0.758 . . . . 53.55 111.205 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.539 HG21 ' SG ' ' A' ' 37' ' ' CYS . 34.8 t -140.69 138.53 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 117.057 0.428 . . . . 74.14 110.19 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.426 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 73.6 t -116.71 140.58 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.584 -0.525 . . . . 73.44 109.584 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 75.34 109.964 177.696 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.07 -152.36 22.24 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.016 -0.833 . . . . 73.2 111.016 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 31.1 Cg_endo -65.71 127.37 17.77 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.465 2.11 . . . . 73.32 111.502 176.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.56 -30.77 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.98 0.733 . . . . 71.14 112.98 -176.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 8.1 pt-20 -70.25 -45.9 65.52 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.616 0.246 . . . . 53.44 111.355 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.561 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.401 0.143 . . . . 73.41 110.83 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 89' ' ' VAL . 62.4 t -58.54 -45.48 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.322 -0.622 . . . . 73.43 109.322 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' CG ' ' HZ1' ' A' ' 90' ' ' LYS . 30.9 t70 -60.38 -39.96 89.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 72.04 110.318 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.629 -0.714 . . . . 62.15 110.752 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.51 -35.81 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 74.13 109.83 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 85' ' ' VAL . 92.7 t -60.45 -47.32 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.093 -0.503 . . . . 71.34 109.961 173.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HZ1' ' CG ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -55.53 -47.03 76.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.827 -0.624 . . . . 73.32 109.724 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -60.35 -43.53 96.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.146 -0.934 . . . . 72.24 110.853 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 60.14 110.387 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -64.15 -35.06 79.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.225 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -85.98 -37.28 19.17 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 75.41 110.983 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.74 -128.44 26.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.301 -0.72 . . . . 31.54 111.301 -172.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.3 m -155.63 154.34 27.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.511 -0.552 . . . . 75.45 109.511 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -59.55 -11.85 15.43 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.034 2.489 . . . . 63.34 113.037 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -75.94 -26.16 56.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.625 -0.261 . . . . 75.23 111.105 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.419 ' HB2' ' HE2' ' A' ' 49' ' ' PHE . 50.0 m -150.37 137.03 19.04 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.833 0.349 . . . . 74.13 110.65 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.4 t -92.49 99.78 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 75.45 111.22 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 29.8 m -67.27 140.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 73.33 110.247 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.77 -57.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.385 . . . . 64.2 111.302 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -143.41 131.25 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.29 -0.413 . . . . 72.44 110.489 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.17 142.39 24.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.351 -0.386 . . . . 63.52 110.282 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.3 m -138.02 130.84 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.311 -0.626 . . . . 74.04 109.311 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.4 mm -116.78 157.18 17.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 109.986 -0.375 . . . . 72.12 109.986 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 85.5 t60 -133.2 144.51 49.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 121.226 0.536 . . . . 72.44 111.057 -177.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 7.62 0.94 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 116.082 1.882 . . . . 71.54 116.082 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.501 ' OG ' ' SG ' ' A' ' 37' ' ' CYS . 66.1 p -58.12 141.5 50.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.9 0.773 . . . . 75.32 113.031 -158.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m -70.99 178.36 3.24 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.2 -0.909 . . . . 73.01 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -50.93 131.09 26.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.953 -0.567 . . . . 70.34 112.523 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.05 176.16 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.494 -0.776 . . . . 64.31 109.621 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -98.16 116.06 29.6 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.961 -0.385 . . . . 74.32 109.961 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.98 145.15 42.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.15 -0.477 . . . . 61.52 111.602 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.17 -47.71 1.75 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.073 -0.512 . . . . 74.33 110.96 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.96 148.65 4.84 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.663 -0.78 . . . . 52.42 113.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -95.42 112.13 23.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.239 -0.652 . . . . 64.33 109.239 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -162.67 126.2 2.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 71.34 110.369 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -70.4 86.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.776 0.798 . . . . 72.11 109.476 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.67 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.0 mtt180 -77.44 144.53 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.47 -1.241 . . . . 74.21 110.522 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.367 -0.825 . . . . 75.33 110.422 -177.423 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG22 ' NH2' ' A' ' 111' ' ' ARG . 39.8 t . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.422 0.63 . . . . 64.33 110.188 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 m -84.34 127.0 33.72 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.746 -1.116 . . . . 74.34 109.601 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -121.65 129.51 52.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.145 -0.317 . . . . 74.11 110.145 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.19 139.05 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.535 . . . . 74.5 109.674 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.495 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 51.1 t -90.91 135.42 33.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.051 -0.722 . . . . 71.23 109.051 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -111.94 146.43 37.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.298 . . . . 74.21 110.995 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -156.35 116.9 3.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 74.33 109.79 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' A' ' 92' ' ' LEU . 12.6 p -123.89 145.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.32 . . . . 72.44 110.387 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.613 HG21 ' HB3' ' A' ' 102' ' ' LYS . 7.9 t -116.84 165.24 13.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.475 -0.565 . . . . 74.2 109.475 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.119 0 C-N-CA 120.651 -0.785 . . . . 41.4 113.703 -172.273 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' A' ' 119' ' ' ILE . 6.3 m-30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.667 0.27 . . . . 74.42 110.44 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.698 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 23.6 t80 -73.57 115.72 13.31 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-O 121.134 0.492 . . . . 74.22 110.445 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.8 tpt180 -65.97 75.25 0.08 Allowed 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.495 -1.23 . . . . 70.43 110.991 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.0 tttm 160.11 -50.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 124.763 1.225 . . . . 63.52 107.98 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.698 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 11.2 m-30 -62.04 -38.06 87.29 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.998 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' A' ' 48' ' ' PHE . 36.6 m -59.91 -53.52 56.89 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.608 -0.437 . . . . 73.23 111.048 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -60.75 -49.61 76.81 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.955 -0.566 . . . . 52.34 109.76 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -57.74 -43.51 85.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.048 -0.524 . . . . 65.33 110.407 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.59 -55.27 36.63 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.128 0.489 . . . . 63.1 110.067 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -55.75 -47.65 76.61 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.263 -0.88 . . . . 74.43 110.684 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.48 -43.07 99.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 61.14 110.856 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.64 75.2 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.813 -0.631 . . . . 73.43 111.502 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.423 HD11 ' HG3' ' A' ' 84' ' ' GLN . 4.2 mm? -85.76 -7.23 58.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.508 -0.315 . . . . 74.52 110.726 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 68.03 47.05 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.362 0.601 . . . . 74.53 111.704 174.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.497 ' HB3' HG11 ' A' ' 78' ' ' VAL . 1.8 mm? -84.55 133.72 34.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.764 -0.653 . . . . 73.12 109.431 173.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 18.5 m -104.07 153.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.677 . . . . 63.31 109.171 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.24 -132.19 5.05 Favored Glycine 0 CA--C 1.511 -0.167 0 N-CA-C 111.342 -0.703 . . . . 63.55 111.342 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.12 150.46 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.132 0.466 . . . . 74.34 111.112 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.7 t -138.97 141.9 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 116.564 -0.289 . . . . 72.34 110.87 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.558 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -152.39 161.91 41.93 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.106 0.879 . . . . 62.0 110.356 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.496 ' HB3' ' HG2' ' A' ' 121' ' ' ARG . 3.9 t-20 -96.54 155.57 16.71 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.088 -0.338 . . . . 73.4 110.088 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.503 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 0.8 OUTLIER -114.94 163.22 15.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.553 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.51 -47.15 63.4 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.873 0.733 . . . . 73.5 112.114 -175.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.01 -17.56 64.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.134 -0.485 . . . . 73.01 111.505 -175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.87 2.18 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.891 -1.283 . . . . 64.4 109.891 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.503 ' HB3' ' HB2' ' A' ' 69' ' ' ASN . 46.7 t -123.41 126.54 46.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.062 -0.569 . . . . 74.3 109.7 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.75 114.89 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.472 -0.566 . . . . 61.55 109.472 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.6 p -121.94 166.86 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.294 -0.412 . . . . 50.11 110.502 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.02 -162.31 35.84 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.141 -0.552 . . . . 53.55 111.978 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -138.18 136.71 44.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 109.735 -0.469 . . . . 74.14 109.735 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.497 HG11 ' HB3' ' A' ' 62' ' ' LEU . 58.1 t -120.89 133.41 67.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 O-C-N 123.621 0.575 . . . . 73.44 109.462 176.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -134.37 137.56 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.585 -0.524 . . . . 75.34 109.585 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -163.74 30.2 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.588 -0.605 . . . . 73.2 111.588 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 29.2 Cg_endo -62.41 130.75 31.22 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.148 1.899 . . . . 73.32 110.879 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -58.65 -19.85 42.78 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 117.032 -0.076 . . . . 71.14 111.174 -172.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.58 -52.25 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.328 0.585 . . . . 53.44 110.177 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.443 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.5 mp0 -74.87 -32.17 61.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.479 -0.782 . . . . 73.41 110.519 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 89' ' ' VAL . 94.3 t -61.65 -44.65 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.168 -0.679 . . . . 73.43 109.168 172.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 25.5 t0 -66.75 -31.1 71.53 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.912 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.68 91.9 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.47 0.652 . . . . 62.15 110.044 172.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.95 -34.49 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.428 -0.805 . . . . 74.13 109.438 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 85' ' ' VAL . 72.3 t -61.65 -40.75 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.113 -0.494 . . . . 71.34 110.586 174.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 55.2 mmtt -60.6 -49.54 77.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.966 -0.753 . . . . 73.32 108.966 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -58.6 -34.84 71.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.21 -0.904 . . . . 72.24 110.614 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.499 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -71.17 -40.93 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.293 -0.412 . . . . 60.14 110.139 -177.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -67.61 -30.26 69.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.121 -0.49 . . . . 73.34 110.796 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -85.58 -29.03 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 75.41 110.136 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.64 -152.35 31.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.556 -0.747 . . . . 31.54 111.938 -175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.9 m -93.21 120.7 66.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.804 -0.813 . . . . 75.45 108.804 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.3 -14.56 20.44 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.998 2.465 . . . . 63.34 113.373 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -75.13 -26.35 59.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.893 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.3 m -111.5 172.3 6.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.817 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.07 112.78 41.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.433 -0.58 . . . . 75.45 109.433 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.9 m -74.47 138.71 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 73.33 110.75 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.613 ' HB3' HG21 ' A' ' 41' ' ' THR . 54.3 tptt -89.43 -57.7 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.356 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -155.49 141.35 18.13 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.585 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.84 142.29 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 63.52 109.918 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -137.76 126.06 23.21 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.725 -0.472 . . . . 74.04 109.725 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.7 mm -116.51 154.06 18.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.655 -0.498 . . . . 72.12 109.655 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.495 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.1 t60 -133.81 147.22 51.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 72.44 110.682 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.47 0.94 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.4 m -59.99 129.93 44.23 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.36 0.6 . . . . 75.32 111.686 -167.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 m -78.06 178.4 7.55 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.116 -0.947 . . . . 73.01 111.836 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.416 ' NH2' HG22 ' A' ' 33' ' ' VAL . 25.6 ttm180 -42.62 129.13 4.12 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.015 0.822 . . . . 70.34 112.46 -176.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.21 175.99 8.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.189 -0.914 . . . . 64.31 109.79 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.31 121.01 22.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 74.32 110.465 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.49 40.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.134 -0.484 . . . . 61.52 111.475 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.75 -48.19 0.81 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.454 -0.339 . . . . 74.33 111.018 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.98 146.65 4.38 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.909 -0.662 . . . . 52.42 112.919 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.73 112.26 24.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.836 -0.431 . . . . 64.33 109.836 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.525 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.0 pt-20 -162.61 131.56 4.17 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.047 0.451 . . . . 71.34 110.208 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 21.9 mm -68.03 86.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.382 0.61 . . . . 72.11 109.971 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.558 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 57.8 mtt180 -81.54 138.21 35.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.979 -1.009 . . . . 74.21 110.435 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HG2' ' HB3' ' A' ' 68' ' ' ASN . 34.8 mtp-105 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.44 -0.79 . . . . 75.33 109.478 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.207 0.527 . . . . 64.33 109.714 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.427 ' HB ' HG22 ' A' ' 85' ' ' VAL . 35.5 m -83.45 125.47 31.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.549 -0.75 . . . . 74.34 110.456 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -119.07 128.8 54.67 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.628 -0.508 . . . . 74.11 109.628 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.77 134.94 25.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 74.5 109.52 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 58.0 m -89.65 134.63 34.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.706 -0.479 . . . . 71.23 109.706 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.44 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.9 m-85 -111.66 140.55 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 74.21 111.613 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 76.9 ttt180 -149.22 120.31 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.674 -0.693 . . . . 74.33 109.674 166.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.426 ' HB ' HD12 ' A' ' 92' ' ' LEU . 10.3 p -121.55 143.85 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.399 -0.593 . . . . 72.44 109.399 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 30.0 p -104.48 150.47 24.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.039 -0.528 . . . . 74.2 109.703 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.179 0 C-N-CA 120.711 -0.757 . . . . 41.4 111.729 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.335 0 N-CA-C 109.9 -0.407 . . . . 74.42 109.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.14 116.45 29.36 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.312 0.577 . . . . 74.22 111.654 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -48.05 -43.74 30.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.739 -1.119 . . . . 70.43 111.594 -176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -50.53 -60.85 2.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.07 -0.514 . . . . 63.52 111.42 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -69.4 -35.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.618 . . . . 73.2 111.074 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -58.44 -53.79 54.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.947 0.403 . . . . 73.23 110.524 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -69.93 -35.28 74.43 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.7 -178.257 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 61.9 tttp -58.6 -52.26 66.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.074 0.464 . . . . 65.33 110.048 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.68 -55.42 20.17 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.511 -0.768 . . . . 63.1 110.371 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.412 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -60.82 -38.53 85.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.486 -0.779 . . . . 74.43 111.779 -175.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 -40.42 65.11 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.817 0.342 . . . . 61.14 110.306 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.01 82.96 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.956 -0.565 . . . . 73.43 111.472 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD12 ' HG3' ' A' ' 84' ' ' GLN . 3.3 mm? -92.94 -12.34 31.09 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.459 -0.337 . . . . 74.52 111.303 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.6 t 67.25 61.77 0.47 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.289 0.635 . . . . 74.53 111.433 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -93.65 149.28 21.36 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.801 -0.636 . . . . 73.12 109.692 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.7 m -123.8 164.43 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 63.31 110.013 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.75 -126.45 2.88 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 111.268 -0.733 . . . . 63.55 111.268 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.644 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.11 144.24 4.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.076 0.438 . . . . 74.34 111.051 176.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 117' ' ' PHE . 8.6 t -138.76 137.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.796 -0.638 . . . . 72.34 110.146 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.68 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.0 t -141.31 161.71 37.23 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.245 0.966 . . . . 62.0 109.534 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.435 ' HB2' HG21 ' A' ' 119' ' ' ILE . 2.7 t30 -117.26 126.94 53.55 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.879 -0.415 . . . . 73.4 109.879 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -87.82 146.71 25.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 74.0 110.888 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.91 -30.9 64.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.04 -0.527 . . . . 73.5 111.093 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.24 -12.98 57.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.962 -0.563 . . . . 73.01 111.01 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.09 50.57 2.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 64.4 111.709 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 t -149.15 131.65 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.774 -0.454 . . . . 74.3 109.774 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 23.6 t -92.67 132.76 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 p -139.52 151.23 45.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 50.11 110.936 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 65' ' ' TYR . . . 169.89 -160.28 33.22 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.757 -0.537 . . . . 53.55 111.757 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.5 t -140.5 143.67 28.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 109.988 -0.375 . . . . 74.14 109.988 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.93 144.19 24.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 109.724 -0.473 . . . . 73.44 109.724 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.454 ' HB2' HG23 ' A' ' 63' ' ' VAL . 3.2 mt-30 -141.1 130.66 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.271 -0.641 . . . . 75.34 109.271 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.37 -174.08 37.05 Favored Glycine 0 CA--C 1.516 0.142 0 C-N-CA 120.986 -0.626 . . . . 73.2 112.134 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -59.89 139.02 86.09 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.581 2.187 . . . . 73.32 112.005 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -52.7 -33.13 46.21 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.653 0.612 . . . . 71.14 112.653 -173.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.1 pt-20 -70.27 -42.14 72.51 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.888 0.375 . . . . 53.44 110.726 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.488 ' HG3' HD12 ' A' ' 60' ' ' LEU . 1.7 mp0 -71.26 -37.83 71.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.298 -0.41 . . . . 73.41 110.365 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.427 HG22 ' HB ' ' A' ' 34' ' ' THR . 88.8 t -63.05 -36.59 76.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.691 -0.485 . . . . 73.43 109.691 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.463 ' HA ' HG13 ' A' ' 89' ' ' VAL . 26.1 t70 -65.08 -40.97 95.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.705 -0.68 . . . . 72.04 109.98 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.05 81.67 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.065 0.459 . . . . 62.15 110.434 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -66.56 -47.39 72.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.417 -0.81 . . . . 74.13 111.258 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG13 ' HA ' ' A' ' 86' ' ' ASP . 7.4 p -67.18 -36.16 76.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.397 0.618 . . . . 71.34 110.594 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.526 -0.761 . . . . 73.32 109.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.08 -40.02 86.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.546 -0.752 . . . . 72.24 109.875 170.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.426 HD12 ' HB ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -59.59 -38.73 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 60.14 109.977 -179.056 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -62.64 -23.9 67.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.103 -0.499 . . . . 73.34 111.294 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -85.12 -34.13 22.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.212 0.53 . . . . 75.41 109.593 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.46 -93.23 0.29 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.283 -0.871 . . . . 31.54 111.858 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 98' ' ' LYS . 66.8 m -160.54 133.71 4.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.187 -0.672 . . . . 75.45 109.187 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.34 9.32 0.41 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 122.712 2.275 . . . . 63.34 113.103 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 96' ' ' SER . 29.4 mmmt -107.8 -0.71 21.47 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.672 0.389 . . . . 75.23 110.852 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -156.72 -176.0 5.73 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.432 -0.349 . . . . 74.13 110.089 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.55 134.73 58.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.298 -0.41 . . . . 75.45 110.142 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.85 145.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 73.33 111.005 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.41 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 21.8 ttmm -87.77 -57.46 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 64.2 109.476 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -158.07 134.52 9.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.909 -0.587 . . . . 72.44 110.705 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.34 139.48 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.028 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -137.74 124.68 21.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 74.04 110.38 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.7 mm -117.96 145.56 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.469 -0.332 . . . . 72.12 110.331 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 57.9 m170 -122.2 152.38 40.03 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.912 0.387 . . . . 72.44 110.952 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.48 5.85 11.8 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.787 1.235 . . . . 71.54 113.786 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.699 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.4 m -59.31 131.67 51.71 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.156 0.503 . . . . 75.32 111.667 -167.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 p -71.23 178.54 3.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.134 -0.939 . . . . 73.01 112.009 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -47.62 125.34 8.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.809 -0.632 . . . . 70.34 112.683 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.42 176.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.003 -0.999 . . . . 64.31 109.027 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.04 133.23 41.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.976 0.417 . . . . 74.32 110.257 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.39 139.82 54.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.429 -0.805 . . . . 61.52 112.315 -172.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 14.3 t70 -109.91 -48.72 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.033 -0.729 . . . . 74.33 109.033 176.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.68 139.91 3.3 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.537 -0.756 . . . . 52.42 112.478 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.406 ' CD1' HG23 ' A' ' 66' ' ' VAL . 24.7 m-85 -82.2 112.13 18.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.652 -0.87 . . . . 64.33 108.652 171.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -159.94 121.21 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.094 0.474 . . . . 71.34 110.753 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' ASN . 22.3 mm -63.35 87.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.441 0.639 . . . . 72.11 109.869 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.68 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 14.0 mtt-85 -65.56 131.09 45.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 74.21 111.421 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 114.935 -1.03 . . . . 75.33 109.645 -175.374 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.236 0.365 0 CA-C-O 121.13 0.491 . . . . 64.33 110.173 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 m -82.05 150.92 27.31 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.535 -0.757 . . . . 74.34 109.656 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -142.05 128.55 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 74.11 110.327 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -139.94 136.93 34.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 74.5 109.417 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.733 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 83.3 m -87.49 135.01 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.907 -0.405 . . . . 71.23 109.907 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.8 143.39 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.127 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -154.27 110.99 3.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.079 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -111.84 145.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.464 -0.569 . . . . 72.44 109.464 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.449 HG21 ' HB3' ' A' ' 73' ' ' SER . 7.5 p -99.76 134.17 43.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.604 -0.517 . . . . 74.2 109.604 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.159 0 C-N-CA 121.004 -0.617 . . . . 41.4 112.654 -175.616 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HB2' HG23 ' A' ' 74' ' ' VAL . 10.1 t80 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.554 -0.535 . . . . 74.42 109.554 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -62.52 84.31 0.02 OUTLIER 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.676 0.621 . . . . 74.22 112.676 -176.34 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -50.17 -41.05 48.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.294 -0.866 . . . . 70.43 111.826 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -53.9 -54.71 34.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.275 0.56 . . . . 63.52 111.056 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.98 -38.05 79.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.432 -0.804 . . . . 73.2 110.378 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -61.17 -41.13 96.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.009 0.433 . . . . 73.23 110.527 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.35 -51.87 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.24 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -56.44 -50.09 72.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.967 -0.56 . . . . 65.33 110.719 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.93 -56.99 14.88 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.534 -0.757 . . . . 63.1 110.573 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -61.88 -41.95 98.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 74.43 111.371 -175.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.35 -42.8 82.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.732 0.301 . . . . 61.14 110.86 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.01 68.9 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.229 -0.441 . . . . 73.43 111.019 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.4 mm? -80.17 -12.71 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.411 -0.358 . . . . 74.52 110.633 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 68.59 48.67 0.79 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.017 -0.538 . . . . 74.53 111.707 174.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 57' ' ' ALA . 2.7 mm? -84.73 133.88 34.36 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.777 -0.453 . . . . 73.12 109.777 173.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -111.4 163.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.227 -0.657 . . . . 63.31 109.227 174.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.11 -129.39 4.05 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.667 -0.973 . . . . 63.55 110.667 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 149.67 5.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.218 0.509 . . . . 74.34 110.926 177.281 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 ' HB ' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -139.32 149.39 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.973 -0.381 . . . . 72.34 109.973 175.19 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.7 t -161.69 161.83 29.58 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.899 0.749 . . . . 62.0 110.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . 56.8 t30 -95.76 164.49 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.419 -0.586 . . . . 73.4 109.419 174.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.96 153.26 49.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 74.0 109.114 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.87 -12.13 16.2 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.842 0.353 . . . . 73.5 111.07 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.21 -19.47 65.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.575 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.51 43.73 6.07 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.52 -1.032 . . . . 64.4 110.52 -171.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.449 ' HB3' HG21 ' A' ' 41' ' ' THR . 63.8 p -151.05 133.54 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.722 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 68' ' ' ASN . 59.4 t -92.57 115.0 30.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.37 -0.604 . . . . 61.55 109.37 177.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 p -115.17 156.96 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 50.11 110.685 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.95 -165.62 36.34 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.256 -0.497 . . . . 53.55 112.266 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.63 135.51 34.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 122.919 0.488 . . . . 74.14 109.954 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.24 136.53 49.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 124.011 0.819 . . . . 73.44 110.06 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -132.54 151.72 51.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.04 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.91 -170.27 24.59 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.402 -0.679 . . . . 73.2 111.402 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.4 Cg_endo -57.34 138.75 87.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.332 2.022 . . . . 73.32 111.339 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.745 ' HZ2' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -52.87 -33.06 48.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.411 0.522 . . . . 71.14 112.411 -173.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.55 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 9.5 pt-20 -70.02 -34.18 72.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.989 0.424 . . . . 53.44 110.937 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.533 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.9 mp0 -74.93 -43.11 55.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 73.41 110.428 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.29 -39.86 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 28.4 t70 -60.8 -42.29 97.31 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 115.241 -0.891 . . . . 72.04 110.412 174.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.43 81.41 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.17 0.51 . . . . 62.15 110.28 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -66.95 -38.53 86.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.647 -0.706 . . . . 74.13 111.181 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.548 HG11 ' O ' ' A' ' 86' ' ' ASP . 6.7 p -68.62 -38.07 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.955 -0.298 . . . . 71.34 110.513 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 74.8 mmtt -60.64 -47.44 86.22 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.835 -0.802 . . . . 73.32 108.835 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.32 -38.96 72.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.952 -1.022 . . . . 72.24 110.798 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -37.41 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 60.14 110.194 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 89' ' ' VAL . 16.2 m-70 -71.51 -23.48 61.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.318 -0.401 . . . . 73.34 110.437 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 11.3 mmmm -65.8 -42.38 90.76 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.04 0.448 . . . . 75.41 110.071 176.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.38 176.26 46.65 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.592 -0.731 . . . . 31.54 112.537 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 99' ' ' SER . 38.3 m -79.6 154.11 76.1 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 75.45 110.469 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.54 -54.56 5.15 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.045 2.497 . . . . 63.34 113.186 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.455 ' HZ2' ' HB2' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -120.99 -26.52 5.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.534 -0.303 . . . . 75.23 111.016 -177.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 96' ' ' SER . 10.1 m -70.84 78.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.86 -0.793 . . . . 74.13 108.86 172.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.41 140.17 13.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.349 -0.842 . . . . 75.45 111.494 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.53 139.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.808 -0.633 . . . . 73.33 110.148 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -82.9 -51.21 7.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 64.2 110.034 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -166.64 144.39 5.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.883 -0.599 . . . . 72.44 110.018 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.28 144.44 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.024 -0.361 . . . . 63.52 110.024 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.0 m -137.98 129.21 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.136 -0.69 . . . . 74.04 109.136 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.92 152.68 24.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 109.833 -0.432 . . . . 72.12 109.833 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 4.9 t60 -135.08 145.88 48.37 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.21 0.529 . . . . 72.44 111.4 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.42 6.5 2.92 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.867 1.267 . . . . 71.54 114.346 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.733 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 53.2 m -59.88 138.04 57.91 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.417 0.627 . . . . 75.32 112.176 -167.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.6 p -76.03 178.56 6.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.788 -1.097 . . . . 73.01 112.068 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -50.5 124.18 10.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.671 -0.695 . . . . 70.34 112.165 -173.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -112.09 175.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.963 -0.754 . . . . 64.31 108.963 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.3 126.93 37.59 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.763 -0.458 . . . . 74.32 109.763 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.52 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 61.52 112.544 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.517 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 23.0 m-20 -115.23 -56.36 2.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.701 -0.681 . . . . 74.33 109.914 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.57 149.18 5.0 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.783 -0.644 . . . . 52.42 112.414 -176.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.463 ' CD2' ' HB ' ' A' ' 66' ' ' VAL . 54.5 m-85 -91.63 111.74 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.657 -0.32 . . . . 64.33 110.363 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.488 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 12.6 pt-20 -162.82 135.86 5.76 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 110.333 -0.247 . . . . 71.34 110.333 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 68' ' ' ASN . 40.2 mm -72.33 86.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.438 0.637 . . . . 72.11 110.341 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.52 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 93.5 mtt180 -83.88 144.45 29.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 74.21 109.97 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.399 -0.81 . . . . 75.33 110.261 -177.444 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.849 -0.426 . . . . 64.33 109.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -84.87 135.27 34.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.435 -0.58 . . . . 74.34 109.435 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.489 HG21 ' HG2' ' A' ' 79' ' ' GLN . 95.2 m -142.99 133.75 25.29 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.401 -0.222 . . . . 74.11 110.401 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' A' ' 106' ' ' ILE . 4.9 mp -147.51 140.56 25.07 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.067 -0.515 . . . . 74.5 110.494 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 59.3 m -81.87 140.32 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 71.23 110.299 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -112.32 141.18 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.391 . . . . 74.21 111.177 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -147.41 110.77 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 74.33 109.096 172.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.86 149.2 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.737 0.303 . . . . 72.44 110.773 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.441 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 12.8 p -106.69 135.32 48.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.343 -0.389 . . . . 74.2 110.703 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.411 0 C-N-CA 121.113 -0.565 . . . . 41.4 112.113 179.155 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' HD2' HD13 ' A' ' 119' ' ' ILE . 44.4 t80 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 107.852 -1.166 . . . . 74.42 107.852 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 48.3 m-85 -59.68 91.56 0.02 OUTLIER 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.591 0.589 . . . . 74.22 112.591 -172.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' HB3' HG12 ' A' ' 119' ' ' ILE . 14.4 ptm180 -54.48 -26.44 31.37 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.192 -0.913 . . . . 70.43 110.621 173.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -45.34 84.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.744 0.306 . . . . 63.52 110.274 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -74.05 -34.73 64.16 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.059 -0.348 . . . . 73.2 110.059 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -60.84 -39.35 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 73.23 110.024 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.691 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 9.0 mtpm? -71.4 -38.24 71.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.065 -0.516 . . . . 52.34 110.951 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.81 -52.17 66.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 65.33 109.921 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -59.68 -57.21 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.287 -0.869 . . . . 63.1 110.544 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -58.13 -45.41 87.4 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.298 -0.865 . . . . 74.43 111.641 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.69 -44.27 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.767 0.318 . . . . 61.14 111.262 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.67 88.22 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.104 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.452 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -83.41 -11.71 57.26 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.022 -0.535 . . . . 74.52 110.745 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 67.82 46.93 1.19 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.243 0.617 . . . . 74.53 112.121 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.24 138.63 33.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.827 -0.624 . . . . 73.12 109.417 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 79' ' ' GLN . 33.2 m -111.6 158.84 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.022 -0.732 . . . . 63.31 109.022 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.64 -141.48 9.8 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 110.84 -0.904 . . . . 63.55 110.84 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.436 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.03 147.33 5.57 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.301 0.55 . . . . 74.34 111.572 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.8 148.54 24.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.952 -0.567 . . . . 72.34 109.631 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -157.29 161.85 39.15 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 124.216 0.948 . . . . 62.0 109.709 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.588 ' HB2' HG21 ' A' ' 119' ' ' ILE . 3.1 t-20 -107.25 130.57 54.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.072 0.463 . . . . 73.4 110.937 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.36 155.53 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 74.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.94 -24.65 39.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.772 0.429 . . . . 73.5 111.711 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.47 -11.06 59.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.28 -0.418 . . . . 73.01 111.58 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.73 21.13 48.47 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.341 -0.704 . . . . 64.4 111.341 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 p -112.08 138.66 48.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.858 -0.423 . . . . 74.3 109.858 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.95 121.22 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.652 -0.499 . . . . 61.55 109.652 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -124.27 164.32 19.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.691 0.282 . . . . 50.11 111.022 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.66 -161.14 34.36 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.193 -0.458 . . . . 53.55 112.183 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.68 140.61 33.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 122.694 0.397 . . . . 74.14 110.058 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.02 141.15 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.823 -0.436 . . . . 73.44 109.823 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.489 ' HG2' HG21 ' A' ' 35' ' ' THR . 3.4 mt-30 -142.07 131.27 23.4 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.51 -0.552 . . . . 75.34 109.51 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.4 -169.87 37.03 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 111.826 -0.51 . . . . 73.2 111.826 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 30.1 Cg_endo -63.8 141.12 77.22 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.465 2.11 . . . . 73.32 111.221 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -27.26 57.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.366 0.266 . . . . 71.14 111.591 -173.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 63.6 mm-40 -64.44 -49.37 71.73 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.887 0.851 . . . . 53.44 110.392 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.4 mp0 -75.05 -31.02 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.094 -0.957 . . . . 73.41 110.618 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.155 -0.683 . . . . 73.43 109.155 173.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.471 ' O ' HG11 ' A' ' 89' ' ' VAL . 19.1 t70 -59.73 -48.34 82.06 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.565 -0.743 . . . . 72.04 110.052 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.86 63.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.777 -0.647 . . . . 62.15 110.681 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.2 t80 -66.57 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.234 -0.894 . . . . 74.13 111.263 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 86' ' ' ASP . 9.4 p -64.85 -35.25 74.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.915 0.388 . . . . 71.34 110.425 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.47 -37.36 77.26 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.331 -0.395 . . . . 73.32 110.445 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.46 -40.79 92.49 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.33 -0.619 . . . . 72.24 109.33 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -36.72 84.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.562 -0.745 . . . . 60.14 110.285 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.65 -29.17 67.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.297 -0.411 . . . . 73.34 110.16 176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.7 tpmt? -80.02 -37.32 34.33 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.829 -0.623 . . . . 75.41 109.892 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.86 -117.81 4.58 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.485 -0.779 . . . . 31.54 112.203 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -126.42 144.73 50.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.573 -0.528 . . . . 75.45 109.573 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.29 -15.43 49.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.972 1.782 . . . . 63.34 111.397 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 57.3 tptt -97.57 -26.63 14.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.107 -0.497 . . . . 75.23 110.888 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 p -142.67 129.57 20.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 74.13 110.993 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.6 t -87.11 152.63 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.061 -0.518 . . . . 75.45 109.831 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.12 131.55 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.98 0.419 . . . . 73.33 110.659 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 62.7 tttm -77.41 -51.1 11.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.643 -0.873 . . . . 64.2 108.643 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -162.91 148.51 12.01 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.111 -0.95 . . . . 72.44 109.467 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.26 143.83 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.52 110.398 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.7 m -133.53 126.97 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 74.04 109.66 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 36' ' ' LEU . 12.1 mm -117.72 155.93 19.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 16.7 t60 -137.79 144.75 41.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.361 . . . . 72.44 110.734 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.37 6.46 1.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.11 1.522 . . . . 71.54 115.11 -170.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.595 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.64 133.49 56.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.581 0.628 . . . . 75.32 112.125 -167.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.1 p -69.43 178.32 2.49 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.189 -0.914 . . . . 73.01 112.504 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.82 138.2 30.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.723 . . . . 70.34 111.838 -172.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.72 176.16 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.712 -0.676 . . . . 64.31 110.506 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.99 124.53 24.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.003 -0.544 . . . . 74.32 110.023 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 61.52 111.043 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 22.9 t70 -140.72 -51.72 0.47 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.915 -0.584 . . . . 74.33 110.404 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.98 141.32 3.33 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.044 -0.526 . . . . 52.42 112.564 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.38 112.61 21.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.504 -0.554 . . . . 64.33 109.504 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 14.9 pt-20 -156.29 169.67 24.03 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.386 -0.525 . . . . 71.34 110.56 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.588 HG21 ' HB2' ' A' ' 68' ' ' ASN . 36.6 mm -102.59 86.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.268 0.556 . . . . 72.11 110.172 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.467 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.9 mtt180 -87.4 144.24 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.78 -1.1 . . . . 74.21 109.794 175.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.292 -0.861 . . . . 75.33 109.846 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.643 0.259 . . . . 64.33 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 m -92.92 141.59 28.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.611 -0.515 . . . . 74.34 109.611 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.1 m -143.74 137.45 28.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.741 0.305 . . . . 74.11 110.779 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.09 140.98 29.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 74.5 109.339 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 43.6 t -91.29 136.68 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.422 -0.584 . . . . 71.23 109.422 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.451 ' HH ' HG23 ' A' ' 89' ' ' VAL . 1.7 m-85 -111.54 141.63 44.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 74.21 110.756 -174.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -150.38 110.42 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.454 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' HB ' HD11 ' A' ' 92' ' ' LEU . 14.5 p -107.6 147.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 72.44 109.985 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.0 p -116.96 117.15 28.89 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.856 -0.794 . . . . 74.2 108.856 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.527 -0.844 . . . . 41.4 113.383 -174.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' A' ' 119' ' ' ILE . 35.7 t80 . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 108.22 -1.03 . . . . 74.42 108.22 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -54.35 97.09 0.02 OUTLIER 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.191 0.812 . . . . 74.22 113.191 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.704 ' HD3' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mmm180 -55.63 -29.19 58.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.114 -0.948 . . . . 70.43 111.086 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.63 -50.63 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 63.52 110.803 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.18 -32.02 49.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.843 -0.617 . . . . 73.2 110.524 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -61.45 -47.88 83.7 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.078 0.466 . . . . 73.23 110.009 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -62.74 -48.27 79.92 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.388 -0.824 . . . . 52.34 110.104 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 1.6 tmtm? -52.53 -51.7 58.36 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.31 -0.405 . . . . 65.33 110.48 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 4.5 tp10 -63.02 -58.61 6.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.939 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.493 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -63.59 -44.66 93.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.741 -0.663 . . . . 74.43 111.49 -175.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.59 -37.62 85.28 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.348 -0.387 . . . . 61.14 111.149 -177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.14 66.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.71 0.29 . . . . 73.43 111.475 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.8 -4.67 54.64 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.194 0.442 . . . . 74.52 112.194 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m 68.26 49.11 0.85 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.26 0.467 . . . . 74.53 112.26 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' HB3' HG11 ' A' ' 78' ' ' VAL . 2.8 mm? -97.89 133.7 42.02 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.762 -0.829 . . . . 73.12 108.762 168.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 79' ' ' GLN . 34.0 m -123.28 172.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.853 -0.425 . . . . 63.31 109.853 176.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 143.78 -120.98 1.56 Allowed Glycine 0 C--O 1.236 0.256 0 N-CA-C 111.163 -0.775 . . . . 63.55 111.163 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 150.66 6.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.089 0.444 . . . . 74.34 111.447 176.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.03 146.0 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 116.503 -0.317 . . . . 72.34 110.942 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -155.18 161.81 41.11 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.754 0.822 . . . . 62.0 109.178 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.609 ' HB2' HG22 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -122.54 115.66 22.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.842 0.353 . . . . 73.4 110.594 -175.083 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.53 149.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 74.0 109.969 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.85 -38.93 52.05 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.284 0.476 . . . . 73.5 112.284 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.02 -19.83 62.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.568 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.54 -27.6 4.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 64.4 112.852 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -63.58 131.45 48.09 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.701 0.286 . . . . 74.3 110.824 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' HB ' HG11 ' A' ' 40' ' ' VAL . 36.2 t -103.36 132.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.263 -0.643 . . . . 61.55 109.263 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 p -130.64 152.78 49.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 50.11 110.759 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.51 -167.46 39.4 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.951 -0.568 . . . . 53.55 111.828 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.407 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 45.9 t -140.11 138.06 37.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 110.104 -0.332 . . . . 74.14 110.104 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 62' ' ' LEU . 75.0 t -116.44 137.82 48.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 O-C-N 123.703 0.627 . . . . 73.44 109.88 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.493 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.9 pt20 -142.55 127.34 18.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 75.34 109.942 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.99 -143.68 8.21 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.353 -0.699 . . . . 73.2 111.353 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.14 129.77 8.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.641 2.227 . . . . 73.32 111.296 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.551 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.46 -35.14 5.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.054 0.761 . . . . 71.14 113.054 -176.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.551 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 5.4 pt-20 -70.63 -44.2 67.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 53.44 111.394 -178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.8 -34.3 71.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 73.41 110.39 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 89' ' ' VAL . 85.1 t -59.35 -45.75 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 109.192 -0.67 . . . . 73.43 109.192 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.442 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 8.6 t70 -55.0 -49.76 70.7 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.517 -0.765 . . . . 72.04 109.966 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.14 -39.0 66.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.526 -0.761 . . . . 62.15 111.036 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.493 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -70.53 -34.3 72.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 74.13 110.122 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.451 HG23 ' HH ' ' A' ' 38' ' ' TYR . 89.3 t -61.06 -43.66 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 121.245 0.545 . . . . 71.34 109.763 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.97 -38.79 92.54 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.68 -0.691 . . . . 73.32 110.283 177.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -59.78 -44.42 93.9 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.155 0.502 . . . . 72.24 109.735 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.495 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -62.47 -35.61 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.557 -0.747 . . . . 60.14 110.663 178.227 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -73.0 -21.71 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 73.34 110.792 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 34.2 mmtp -83.12 -33.68 26.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.804 0.335 . . . . 75.41 110.118 175.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.13 -132.1 20.99 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.927 -0.579 . . . . 31.54 112.199 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.7 p -160.79 148.74 12.7 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 109.986 -0.376 . . . . 75.45 109.986 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.13 -55.78 0.88 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 124.519 3.479 . . . . 63.34 114.831 -173.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.707 ' HZ3' ' HB3' ' A' ' 98' ' ' LYS . 8.3 mtpm? -99.49 15.25 27.08 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.874 0.324 . . . . 75.23 111.874 -172.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -124.68 92.99 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.102 -0.703 . . . . 74.13 109.102 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.8 91.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 121.54 0.686 . . . . 75.45 110.591 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.432 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 27.0 m -69.09 143.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.873 -1.058 . . . . 73.33 111.0 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.39 -56.83 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 64.2 110.512 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -147.22 128.45 14.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.274 -0.421 . . . . 72.44 110.809 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 HG22 HG21 ' A' ' 40' ' ' VAL . 34.9 t -98.25 147.83 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.529 -0.545 . . . . 63.52 109.529 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -137.94 126.43 23.44 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 74.04 109.889 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 mm -112.65 152.21 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.757 -0.46 . . . . 72.12 109.757 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 33.4 t-80 -133.17 149.06 52.07 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.974 0.416 . . . . 72.44 110.918 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.43 6.08 1.53 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.066 1.506 . . . . 71.54 115.066 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -59.44 139.18 57.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.18 0.514 . . . . 75.32 112.367 -166.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.5 p -75.09 178.57 5.58 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.881 -1.054 . . . . 73.01 111.983 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 7.3 tmm_? -56.9 143.32 38.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.099 -0.501 . . . . 70.34 111.081 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.442 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 27.5 m -135.4 176.28 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 64.31 110.988 -171.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.55 122.09 28.09 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.488 -0.56 . . . . 74.32 109.488 171.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.7 127.09 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 61.52 110.952 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.573 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 21.3 t70 -101.62 -49.62 3.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.017 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.37 144.14 4.14 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.904 -0.589 . . . . 52.42 112.696 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.48 112.03 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.133 -0.692 . . . . 64.33 109.133 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.704 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 10.8 pt-20 -162.68 133.52 4.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.187 0.518 . . . . 71.34 111.064 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.609 HG22 ' HB2' ' A' ' 68' ' ' ASN . 42.5 mm -72.35 86.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.555 0.693 . . . . 72.11 110.839 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.1 mtt180 -84.43 141.1 31.06 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.082 -0.963 . . . . 74.21 110.363 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.472 -0.785 . . . . 75.33 109.854 -179.458 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.514 -0.418 0 N-CA-C 107.843 -1.169 . . . . 64.33 107.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -76.16 111.62 11.77 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.622 -0.717 . . . . 74.34 110.295 -167.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.505 HG22 ' HG2' ' A' ' 79' ' ' GLN . 58.7 m -114.82 133.63 55.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.02 -0.991 . . . . 74.11 109.872 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -139.32 132.19 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 74.5 109.517 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 42.1 t -88.02 133.81 33.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.431 -0.581 . . . . 71.23 109.431 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.44 148.76 32.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.998 0.427 . . . . 74.21 110.925 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -151.62 113.76 4.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.203 -0.908 . . . . 74.33 109.09 171.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.56 136.08 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.421 -0.585 . . . . 72.44 109.421 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.599 HG21 ' HB3' ' A' ' 73' ' ' SER . 18.9 p -102.52 150.82 23.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.45 -0.574 . . . . 74.2 109.45 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 C-N-CA 121.014 -0.612 . . . . 41.4 111.839 179.296 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HB2' HG21 ' A' ' 74' ' ' VAL . 17.7 t80 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.759 0.314 . . . . 74.42 110.835 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.7 84.32 0.07 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.905 0.859 . . . . 74.22 112.567 -178.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' HB3' HG12 ' A' ' 119' ' ' ILE . 11.4 ptp85 -52.21 -39.54 60.34 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 114.29 -1.323 . . . . 70.43 112.026 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 31.6 mmtp -61.44 -57.86 10.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.039 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -30.42 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 73.2 110.516 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 m -57.85 -51.27 70.28 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.515 0.674 . . . . 73.23 110.091 172.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -65.23 -33.26 75.57 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.232 -0.895 . . . . 52.34 110.386 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.11 -48.35 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 65.33 110.483 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -56.66 -53.73 54.31 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 121.39 0.614 . . . . 63.1 109.613 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.412 ' HB3' ' HE1' ' A' ' 88' ' ' PHE . . . -56.92 -47.85 79.63 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.19 -0.914 . . . . 74.43 111.283 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -66.44 -32.92 74.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.424 -0.353 . . . . 61.14 111.066 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.47 -47.34 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.144 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -99.68 4.67 45.68 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.228 0.455 . . . . 74.52 112.228 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t 68.16 38.81 2.53 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.086 0.555 . . . . 74.53 111.571 171.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.83 133.73 35.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.029 -0.73 . . . . 73.12 109.029 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 79' ' ' GLN . 32.6 m -109.27 166.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.539 -0.541 . . . . 63.31 109.539 175.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.93 -139.35 8.65 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.934 -0.867 . . . . 63.55 110.934 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.33 157.89 11.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.776 0.288 . . . . 74.34 110.679 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.78 143.87 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.535 -0.302 . . . . 72.34 110.273 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.2 t -151.69 161.76 42.14 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.128 0.893 . . . . 62.0 110.308 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.478 ' HB2' HG21 ' A' ' 119' ' ' ILE . 23.0 t-20 -96.37 156.2 16.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.891 -0.411 . . . . 73.4 109.891 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -125.46 160.38 29.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.383 -0.371 . . . . 74.0 110.515 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.15 -12.13 47.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.976 -0.556 . . . . 73.5 111.039 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' HB2' ' OG ' ' A' ' 73' ' ' SER . 3.0 m-20 -65.22 -15.63 62.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.347 174.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.99 19.53 61.0 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.226 -1.15 . . . . 64.4 110.226 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.599 ' HB3' HG21 ' A' ' 41' ' ' THR . 46.9 p -115.15 166.47 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.058 -0.571 . . . . 74.3 110.479 -176.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 48' ' ' PHE . 97.7 t -117.01 115.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.168 -0.679 . . . . 61.55 109.168 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -120.32 148.53 43.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.199 -0.455 . . . . 50.11 110.44 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.94 23.42 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.314 -0.714 . . . . 53.55 111.314 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -140.08 136.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.398 . . . . 74.14 109.927 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -112.13 141.6 27.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 108.97 -0.752 . . . . 73.44 108.97 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' HG22 ' A' ' 35' ' ' THR . 3.1 mt-30 -141.02 125.89 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.687 -0.486 . . . . 75.34 109.687 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.68 -164.87 36.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 120.9 -0.667 . . . . 73.2 111.967 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 28.6 Cg_endo -63.64 135.66 50.1 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.62 2.213 . . . . 73.32 111.548 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -29.89 43.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.43 -0.35 . . . . 71.14 111.907 -172.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.03 -50.48 55.16 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.451 -0.341 . . . . 53.44 111.062 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.462 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -67.27 -31.29 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 73.41 110.254 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.07 -39.72 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.935 0.398 . . . . 73.43 110.016 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' ' 89' ' ' VAL . 17.8 t70 -62.55 -36.97 84.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 72.04 109.629 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.58 ' O ' ' HE3' ' A' ' 90' ' ' LYS . . . -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.778 -0.646 . . . . 62.15 110.448 174.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HE1' ' HB3' ' A' ' 57' ' ' ALA . 19.3 t80 -65.68 -47.11 76.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.387 -0.369 . . . . 74.13 110.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 86' ' ' ASP . 8.2 p -64.73 -34.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.407 -0.361 . . . . 71.34 110.289 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -53.38 -49.12 67.88 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 172.015 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.32 -43.94 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 72.24 110.925 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.8 95.16 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.335 -177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -66.6 -8.7 28.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.105 -0.498 . . . . 73.34 111.924 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.38 -32.54 24.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 75.41 109.94 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.09 179.36 21.31 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.658 -0.701 . . . . 31.54 113.012 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 99' ' ' SER . 3.8 p -75.28 141.08 73.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 122.282 0.233 . . . . 75.45 110.517 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.56 -55.85 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.937 2.425 . . . . 63.34 113.364 -173.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -94.93 -17.85 21.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.544 -0.298 . . . . 75.23 111.768 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.475 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 10.4 m -100.23 127.48 46.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.456 -0.338 . . . . 74.13 110.396 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.49 136.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.385 0.612 . . . . 75.45 110.687 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.65 149.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.723 -1.126 . . . . 73.33 109.965 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -93.4 -54.71 3.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 64.2 110.352 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -162.06 144.83 11.61 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.283 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -113.61 135.52 52.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.53 -0.544 . . . . 63.52 109.53 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.6 m -137.61 140.65 41.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 74.04 110.337 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.2 mm -121.77 161.98 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 72.12 109.599 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t60 -142.29 147.92 37.19 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 72.44 110.652 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.69 1.16 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.199 1.185 . . . . 71.54 114.199 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 m -59.23 130.09 45.27 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.156 0.435 . . . . 75.32 111.846 -168.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.442 ' O ' HG11 ' A' ' 112' ' ' VAL . 23.1 t -78.2 178.66 7.42 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.379 -0.828 . . . . 73.01 111.785 -174.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -47.13 130.72 12.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.867 0.867 . . . . 70.34 112.449 -172.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.442 HG11 ' O ' ' A' ' 110' ' ' SER . 30.5 m -129.07 176.33 8.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.286 -0.87 . . . . 64.31 110.105 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.97 114.45 13.46 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 110.067 -0.346 . . . . 74.32 110.067 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.22 169.7 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.981 -0.554 . . . . 61.52 110.528 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.94 -44.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.069 -0.252 . . . . 74.33 111.002 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.85 154.97 8.2 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.075 -1.06 . . . . 52.42 113.634 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -97.59 112.19 24.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.173 -0.677 . . . . 64.33 109.173 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.2 pt-20 -162.08 137.75 7.49 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.05 0.452 . . . . 71.34 110.716 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 68' ' ' ASN . 23.5 mm -69.41 86.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.529 0.68 . . . . 72.11 110.183 -176.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.482 ' HG3' ' HG3' ' A' ' 118' ' ' GLU . 59.1 mtt180 -85.66 138.23 32.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.88 -1.054 . . . . 74.21 110.952 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.445 -0.788 . . . . 75.33 109.5 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.031 0.443 . . . . 64.33 110.385 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -137.87 145.17 41.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 74.34 109.442 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -139.81 131.31 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 74.11 109.774 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.55 134.61 37.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.71 -0.478 . . . . 74.5 109.71 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.2 t -93.72 132.32 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.385 -0.598 . . . . 71.23 109.385 176.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 11.6 m-85 -111.85 150.89 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.201 0.524 . . . . 74.21 111.321 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -154.53 110.42 3.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.226 -0.897 . . . . 74.33 109.138 170.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.22 143.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.267 -0.642 . . . . 72.44 109.267 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.6 p -102.44 125.54 49.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.243 -0.435 . . . . 74.2 111.397 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 110.833 -0.907 . . . . 41.4 110.833 174.115 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HB2' HG22 ' A' ' 74' ' ' VAL . 3.2 t80 . . . . . 0 C--O 1.233 0.212 0 N-CA-C 109.995 -0.372 . . . . 74.42 109.995 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -63.83 93.1 0.08 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.454 0.645 . . . . 74.22 112.508 -177.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.79 -39.0 57.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.209 -0.905 . . . . 70.43 111.342 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -52.08 -61.1 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.582 -0.735 . . . . 63.52 110.97 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -70.39 -29.44 66.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.469 -0.787 . . . . 73.2 111.196 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -62.22 -53.35 56.45 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 120.973 0.416 . . . . 73.23 110.2 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -64.31 -45.69 86.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.681 -0.69 . . . . 52.34 109.833 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -57.6 -52.2 66.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.434 -0.348 . . . . 65.33 111.03 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.77 -54.94 31.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.704 -0.68 . . . . 63.1 110.574 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -59.75 -42.2 92.66 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.059 -0.518 . . . . 74.43 110.959 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.1 -39.57 93.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 61.14 111.006 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.82 -50.03 46.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 73.43 111.169 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.3 -6.0 59.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.603 -0.271 . . . . 74.52 111.442 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m 67.68 51.41 0.82 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.241 0.543 . . . . 74.53 111.756 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -89.16 144.26 26.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.041 -0.527 . . . . 73.12 109.843 174.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.8 m -119.09 155.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.901 -0.407 . . . . 63.31 109.901 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.81 -133.86 4.72 Favored Glycine 0 C--O 1.236 0.23 0 N-CA-C 111.462 -0.655 . . . . 63.55 111.462 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.0 156.46 10.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.012 0.406 . . . . 74.34 111.036 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.2 t -138.65 149.74 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.781 -0.451 . . . . 72.34 109.781 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.597 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.9 t -158.55 161.82 37.34 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.179 0.924 . . . . 62.0 109.819 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.663 ' HB2' HG23 ' A' ' 119' ' ' ILE . 26.9 t-20 -114.03 136.6 52.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.761 0.315 . . . . 73.4 110.351 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.531 HD21 ' N ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -92.46 161.63 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 74.0 110.351 -179.434 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.59 -23.88 63.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.967 0.413 . . . . 73.5 110.559 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.05 -17.85 64.8 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 73.01 111.179 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.31 21.62 54.03 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.098 -0.801 . . . . 64.4 111.098 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -108.47 132.42 53.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.807 -0.442 . . . . 74.3 109.807 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 48' ' ' PHE . 25.4 t -92.63 114.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.957 -0.386 . . . . 61.55 109.957 -178.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -118.18 161.07 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.584 -0.28 . . . . 50.11 110.713 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.21 -168.83 41.73 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.682 -0.567 . . . . 53.55 111.682 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 46.2 t -139.1 139.75 39.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.748 -0.464 . . . . 74.14 109.748 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.0 145.48 27.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.644 -0.502 . . . . 73.44 109.644 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 63' ' ' VAL . 2.8 mt-30 -138.84 146.03 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.471 -0.566 . . . . 75.34 109.471 -177.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.61 -170.34 29.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 73.2 111.868 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -62.5 149.54 90.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.443 2.096 . . . . 73.32 111.634 177.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.33 -48.19 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 71.14 111.445 -176.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -69.02 -33.95 74.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.521 -0.309 . . . . 53.44 111.588 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.542 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -74.14 -39.58 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 73.41 110.048 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.22 -36.13 74.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.515 -0.55 . . . . 73.43 109.515 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.506 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 31.0 t70 -63.87 -40.42 96.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 72.04 109.858 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.06 91.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 62.15 110.341 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 28.8 t80 -65.32 -42.62 92.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.442 -0.799 . . . . 74.13 111.497 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.454 ' HB ' ' OH ' ' A' ' 38' ' ' TYR . 10.0 p -68.51 -39.4 80.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 C-N-CA 120.837 -0.345 . . . . 71.34 110.668 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 86' ' ' ASP . 5.6 mptp? -60.76 -38.4 85.07 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.661 -0.496 . . . . 73.32 109.661 173.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' A' ' 88' ' ' PHE . 13.6 t80 -59.18 -43.51 92.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.807 -0.633 . . . . 72.24 110.492 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -33.49 76.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.969 -0.559 . . . . 60.14 110.239 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.92 -7.83 56.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.957 -0.565 . . . . 73.34 111.615 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.38 -45.05 73.78 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.818 -0.438 . . . . 75.41 109.818 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.75 148.55 5.76 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.725 -0.67 . . . . 31.54 112.02 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.55 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 51.1 m -78.64 126.41 82.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.082 -0.34 . . . . 75.45 110.082 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.34 -31.44 93.86 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.637 2.225 . . . . 63.34 112.546 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -95.34 -26.19 16.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.448 -0.342 . . . . 75.23 111.248 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.55 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.6 t -110.54 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 74.13 110.124 -175.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.13 129.68 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.105 -0.498 . . . . 75.45 110.892 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.78 149.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.93 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -98.3 -50.37 4.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.092 -0.504 . . . . 64.2 110.326 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 104' ' ' VAL . 22.8 tptm -158.74 138.38 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.527 -0.761 . . . . 72.44 110.158 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.434 ' O ' ' HE2' ' A' ' 103' ' ' LYS . 8.3 p -101.48 129.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.278 -0.638 . . . . 63.52 109.278 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -120.81 134.68 55.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.566 -0.531 . . . . 74.04 109.566 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -121.15 158.38 23.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 88.6 m-70 -139.84 154.54 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 72.44 110.813 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.22 5.99 24.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.753 -1.112 . . . . 71.54 113.559 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.9 m -59.73 134.42 57.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.15 0.5 . . . . 75.32 111.938 -167.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 m -71.77 178.16 3.79 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.003 -0.999 . . . . 73.01 112.164 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -47.0 138.75 6.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.587 -0.733 . . . . 70.34 112.664 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.2 176.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.868 -1.06 . . . . 64.31 109.293 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.49 120.82 28.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.022 -0.362 . . . . 74.32 110.022 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.26 141.13 55.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 61.52 111.152 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -124.14 -45.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 74.33 111.387 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.76 139.3 3.36 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.73 -0.748 . . . . 52.42 113.015 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.15 112.22 24.1 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.51 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 14.7 pt-20 -162.5 142.8 9.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.23 0.538 . . . . 71.34 110.938 175.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.663 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.4 mp -75.4 86.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.929 0.871 . . . . 72.11 108.753 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.597 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 44.3 mtt85 -72.39 135.9 45.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.347 -1.297 . . . . 74.21 110.752 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.656 -0.868 . . . . 75.33 108.656 178.531 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.103 0.478 . . . . 64.33 110.583 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -125.84 155.42 41.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 74.34 109.595 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -147.54 129.2 15.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.596 0.236 . . . . 74.11 111.042 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' HG11 ' A' ' 78' ' ' VAL . 4.6 mp -147.6 150.62 34.79 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.25 -0.648 . . . . 74.5 109.25 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 70.0 m -92.41 141.65 28.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.721 0.295 . . . . 71.23 110.514 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.6 m-85 -112.94 139.97 48.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 74.21 110.682 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -150.09 113.17 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 74.33 109.697 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.42 ' HB ' HD11 ' A' ' 92' ' ' LEU . 7.6 p -113.36 143.49 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.311 -0.626 . . . . 72.44 109.311 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.551 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 27.0 p -107.06 155.17 20.13 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.35 -0.387 . . . . 74.2 110.01 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 0.142 0 C-N-CA 121.335 -0.46 . . . . 41.4 112.234 179.62 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.659 ' HB3' HG12 ' A' ' 119' ' ' ILE . 10.8 t80 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.042 -0.355 . . . . 74.42 110.042 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -61.14 85.51 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.678 0.622 . . . . 74.22 112.678 -177.326 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 119' ' ' ILE . 3.2 ptp180 -52.39 -37.92 57.66 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.481 -0.781 . . . . 70.43 112.295 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -58.56 -49.71 76.44 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.712 0.292 . . . . 63.52 110.991 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -68.76 -31.65 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 73.2 110.54 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -60.11 -52.86 63.56 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.912 0.387 . . . . 73.23 110.521 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 49.7 mtpt -64.78 -40.2 94.86 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.896 -0.593 . . . . 52.34 110.2 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -58.77 -52.06 67.31 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.935 -0.575 . . . . 65.33 111.04 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.25 -53.71 48.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.808 -0.633 . . . . 63.1 110.418 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.49 84.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.651 -0.704 . . . . 74.43 110.839 -177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.89 -36.5 78.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 61.14 110.726 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.46 69.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.198 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.05 -4.65 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 74.52 111.217 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.1 t 68.52 40.12 1.99 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.835 0.35 . . . . 74.53 111.754 171.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.82 133.89 34.32 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.55 -0.537 . . . . 73.12 109.55 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -109.49 150.46 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.137 -0.69 . . . . 63.31 109.137 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.37 -135.8 5.25 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.764 -0.934 . . . . 63.55 110.764 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 145.4 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.492 0.646 . . . . 74.34 111.23 179.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -139.04 146.61 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 115.964 -0.562 . . . . 72.34 110.05 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.546 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.8 t -155.54 161.94 40.78 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 124.054 0.846 . . . . 62.0 109.413 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.807 ' HB2' HG22 ' A' ' 119' ' ' ILE . 3.6 t-20 -108.5 163.35 13.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.062 -0.347 . . . . 73.4 110.062 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.3 m-80 -130.71 141.9 50.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.989 -0.745 . . . . 74.0 108.989 177.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -58.92 -15.93 15.24 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.35 0.595 . . . . 73.5 110.371 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.92 -15.03 61.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.157 -0.928 . . . . 73.01 110.694 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.95 28.4 12.09 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.964 -0.562 . . . . 64.4 111.724 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -132.47 130.78 40.94 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.937 0.399 . . . . 74.3 110.902 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.3 t -101.49 117.68 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.094 -0.706 . . . . 61.55 109.094 174.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -127.94 155.51 44.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 50.11 111.621 -172.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.28 -166.34 38.28 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.966 -0.561 . . . . 53.55 112.075 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.524 HG23 ' SG ' ' A' ' 37' ' ' CYS . 48.8 t -133.09 139.69 48.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 122.62 0.368 . . . . 74.14 110.236 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.407 HG11 ' O ' ' A' ' 36' ' ' LEU . 9.9 p -115.07 136.4 51.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 109.675 -0.491 . . . . 73.44 109.675 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.477 ' HB2' HG22 ' A' ' 63' ' ' VAL . 2.8 mt-30 -139.69 140.78 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.395 -0.594 . . . . 75.34 109.395 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.54 -172.06 27.19 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.659 -0.576 . . . . 73.2 111.659 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.2 Cg_endo -56.22 126.92 23.94 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.569 2.18 . . . . 73.32 111.971 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.16 -31.96 2.69 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.883 0.698 . . . . 71.14 112.883 -176.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.542 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 6.3 pt-20 -70.42 -42.81 71.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.124 0.488 . . . . 53.44 110.994 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.459 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.2 mp0 -74.0 -29.76 62.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.894 -0.41 . . . . 73.41 109.894 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.44 -39.35 84.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.24 -0.652 . . . . 73.43 109.24 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.548 ' O ' HG11 ' A' ' 89' ' ' VAL . 23.3 t70 -64.18 -42.75 96.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.426 -0.807 . . . . 72.04 109.822 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.3 67.78 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.294 0.569 . . . . 62.15 110.466 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -69.3 -42.57 75.27 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.509 -0.769 . . . . 74.13 111.123 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.548 HG11 ' O ' ' A' ' 86' ' ' ASP . 8.8 p -66.17 -34.86 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 120.712 -0.395 . . . . 71.34 110.136 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 47.4 mmtm -59.67 -44.58 93.55 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.305 -0.628 . . . . 73.32 109.305 172.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -59.97 -44.73 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 72.24 110.72 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.42 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.91 -39.35 94.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 60.14 110.33 -177.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -61.84 -25.41 67.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.883 -0.598 . . . . 73.34 111.23 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.08 -30.38 70.88 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.122 0.487 . . . . 75.41 110.228 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.21 -168.65 47.69 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.596 -0.729 . . . . 31.54 113.039 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -72.85 148.32 89.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.957 -0.386 . . . . 75.45 109.957 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.48 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 34.1 Cg_endo -65.29 -52.1 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.269 1.979 . . . . 63.34 112.739 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.14 14.56 11.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.844 0.354 . . . . 75.23 111.353 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -123.14 145.85 48.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.651 -0.499 . . . . 74.13 109.651 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.76 129.39 39.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.515 -0.311 . . . . 75.45 110.987 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -81.24 149.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.31 175.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.551 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 17.9 ttmm -89.07 -55.06 3.83 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 64.2 109.533 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -167.63 143.95 4.16 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.867 -0.606 . . . . 72.44 110.093 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.48 141.59 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.871 -0.418 . . . . 63.52 109.871 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 m -137.79 137.58 38.34 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.943 -0.392 . . . . 74.04 109.943 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.7 mm -123.39 156.42 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.278 -0.638 . . . . 72.12 109.278 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 5.7 t60 -135.62 145.3 46.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.012 0.434 . . . . 72.44 111.004 -177.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.43 6.16 1.95 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.353 1.242 . . . . 71.54 114.353 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.669 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 56.8 m -59.28 146.34 39.78 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.412 0.625 . . . . 75.32 112.396 -166.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -82.41 178.41 8.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.737 -1.12 . . . . 73.01 112.37 -171.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.93 140.21 31.54 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 70.34 112.381 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.6 176.21 7.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.321 -0.854 . . . . 64.31 109.382 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.7 130.03 34.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.994 -0.373 . . . . 74.32 109.994 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.63 165.48 24.64 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.942 -0.572 . . . . 61.52 111.02 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.447 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 29.3 t70 -147.4 -45.66 0.17 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.909 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.98 137.98 3.15 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.932 -0.652 . . . . 52.42 113.073 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 31.0 m-85 -87.15 111.93 21.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.22 -0.659 . . . . 64.33 109.22 174.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.53 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.7 pt-20 -163.05 132.18 4.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 71.34 110.206 170.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.807 HG22 ' HB2' ' A' ' 68' ' ' ASN . 1.6 mp -65.03 87.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.613 0.721 . . . . 72.11 110.233 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.546 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.7 mtt180 -84.39 144.83 28.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.549 -1.205 . . . . 74.21 110.405 175.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.884 -0.598 . . . . 75.33 110.254 178.377 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.939 -0.763 . . . . 64.33 108.939 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.3 m -104.1 122.14 44.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.334 -0.848 . . . . 74.34 109.94 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.521 HG21 ' HG2' ' A' ' 79' ' ' GLN . 88.6 m -109.98 123.07 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.895 -0.409 . . . . 74.11 109.895 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.2 mt -137.53 135.8 37.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.639 -0.504 . . . . 74.5 109.639 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 52.5 t -87.53 137.38 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.547 -0.538 . . . . 71.23 109.547 177.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.82 146.56 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.888 0.375 . . . . 74.21 110.003 -177.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -152.05 110.88 3.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 109.475 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -117.54 143.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.767 -0.457 . . . . 72.44 109.767 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.474 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 20.2 p -100.14 117.12 33.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.611 0.243 . . . . 74.2 110.546 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 111.025 -0.83 . . . . 41.4 111.025 177.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.508 ' HD2' HD11 ' A' ' 119' ' ' ILE . 24.5 t80 . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 110.258 -0.275 . . . . 74.42 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.38 90.52 2.67 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.899 0.703 . . . . 74.22 112.899 -175.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.522 ' HB2' HG12 ' A' ' 119' ' ' ILE . 13.7 ttm180 -57.09 -54.34 47.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.485 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.92 -51.29 58.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 63.52 111.301 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -65.54 -40.2 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 73.2 111.156 -175.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -60.53 -47.25 86.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.787 0.327 . . . . 73.23 111.306 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -63.8 -43.45 96.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.189 -0.46 . . . . 52.34 110.267 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.56 -47.13 87.56 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.539 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.57 -56.01 27.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.56 -0.745 . . . . 63.1 110.506 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.56 70.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 74.43 110.51 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.75 -35.52 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 61.14 111.026 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -40.81 66.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.127 -0.488 . . . . 73.43 111.788 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 mt -101.5 5.26 41.81 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.99 0.367 . . . . 74.52 111.99 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m 68.39 32.6 4.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.047 0.539 . . . . 74.53 112.225 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 84' ' ' GLN . 2.8 mm? -81.72 133.65 35.37 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.5 -0.926 . . . . 73.12 108.5 170.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 79' ' ' GLN . 30.3 m -115.06 163.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.499 -0.556 . . . . 63.31 109.499 176.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 146.04 -141.52 9.73 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.15 -0.78 . . . . 63.55 111.15 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.49 152.67 22.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.914 0.357 . . . . 74.34 110.601 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.6 t -134.76 142.0 41.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 109.507 -0.553 . . . . 72.34 109.507 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.518 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 14.9 t -153.44 161.97 41.74 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.913 0.758 . . . . 62.0 110.282 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 3.2 t-20 -119.37 156.44 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.259 -0.645 . . . . 73.4 109.259 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 55.6 m-80 -132.74 167.04 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 74.0 110.821 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -54.99 -26.08 34.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.317 -0.856 . . . . 73.5 112.39 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.91 -12.46 59.51 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.272 -0.422 . . . . 73.01 111.638 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.64 5.92 81.02 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.06 -0.816 . . . . 64.4 111.06 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.6 p -95.65 135.99 36.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.049 0.452 . . . . 74.3 110.593 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 48' ' ' PHE . 59.2 t -101.11 118.1 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 61.55 109.25 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -117.94 170.78 8.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.343 -0.389 . . . . 50.11 109.994 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.7 -165.19 38.27 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.587 -0.605 . . . . 53.55 111.587 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.489 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 60.6 t -140.66 136.15 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.019 0.409 . . . . 74.14 110.269 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.48 135.07 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.285 -0.635 . . . . 73.44 109.285 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 35' ' ' THR . 2.0 mt-30 -137.04 127.34 26.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.711 -0.848 . . . . 75.34 108.711 -176.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.02 -163.42 31.39 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.408 -0.901 . . . . 73.2 112.862 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 15.5 Cg_endo -57.0 129.84 36.62 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.101 2.534 . . . . 73.32 112.102 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.58 -35.55 13.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 71.14 112.148 -175.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.522 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 7.4 pt-20 -70.35 -43.96 69.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.841 0.312 . . . . 53.44 111.841 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.529 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.3 mp0 -72.7 -33.05 66.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.494 0.188 . . . . 73.41 110.636 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 89' ' ' VAL . 95.5 t -61.71 -45.24 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.996 -0.742 . . . . 73.43 108.996 172.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.61 -46.04 81.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.259 -0.882 . . . . 72.04 109.369 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.78 85.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.089 -0.96 . . . . 62.15 111.014 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -67.41 -35.83 80.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 74.13 109.894 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.0 t -62.77 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.192 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.1 -29.61 69.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.862 -0.608 . . . . 73.32 110.528 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.75 -41.95 64.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.613 -0.721 . . . . 72.24 110.135 173.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -37.87 88.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 60.14 109.544 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.48 -4.66 23.84 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.453 -0.794 . . . . 73.34 111.796 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -73.4 -34.57 65.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.522 -0.547 . . . . 75.41 109.522 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 170.97 46.41 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.6 -0.727 . . . . 31.54 112.721 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 19.9 m -60.0 147.88 78.8 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 122.403 0.281 . . . . 75.45 110.449 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.2 -50.57 13.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.703 2.269 . . . . 63.34 112.966 -173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -113.33 -2.14 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 75.23 111.492 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.7 t -119.79 141.57 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.985 -0.376 . . . . 74.13 109.985 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.43 137.79 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 75.45 110.449 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 m -91.08 142.29 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.881 0.372 . . . . 73.33 110.136 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 23.6 tptm -91.05 -53.67 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 64.2 110.719 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -147.94 131.65 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.361 -0.381 . . . . 72.44 110.802 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.4 129.09 58.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 109.39 -0.596 . . . . 63.52 109.39 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 m -129.83 124.5 33.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.946 -0.39 . . . . 74.04 109.946 -173.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.9 mm -111.97 148.33 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 44.7 t-80 -132.94 151.75 52.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.208 0.527 . . . . 72.44 110.946 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.39 7.07 0.86 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.789 1.236 . . . . 71.54 114.188 -173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.0 m -59.27 141.48 54.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.251 0.548 . . . . 75.32 112.431 -162.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 m -74.42 174.77 8.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.042 -0.981 . . . . 73.01 112.109 -172.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.96 136.61 51.76 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.343 -0.844 . . . . 70.34 111.48 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 176.06 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.066 -0.516 . . . . 64.31 110.564 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.04 125.44 27.66 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.557 -0.534 . . . . 74.32 109.557 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.72 -167.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 61.52 112.131 -174.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 73.12 44.88 0.31 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.024 -0.989 . . . . 74.33 110.953 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.16 37.21 1.96 Allowed Glycine 0 CA--C 1.508 -0.382 0 CA-C-N 115.574 -0.739 . . . . 52.42 112.771 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -72.94 112.4 8.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.071 -0.565 . . . . 64.33 110.762 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.5 169.38 20.42 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.768 0.318 . . . . 71.34 110.179 173.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.522 HG12 ' HB2' ' A' ' 50' ' ' ARG . 40.7 mm -103.55 85.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.014 -1.106 . . . . 72.11 108.014 167.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.518 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 28.1 ttt180 -80.69 111.89 17.55 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.219 -1.355 . . . . 74.21 110.748 -174.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.323 -0.846 . . . . 75.33 109.379 176.112 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.656 0.741 . . . . 64.33 109.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -81.55 134.09 35.46 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.937 -1.029 . . . . 74.34 110.113 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.3 m -125.55 130.15 51.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 74.11 110.246 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.6 mt -142.3 137.05 30.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 74.5 109.277 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.9 t -86.14 136.36 33.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.794 -0.447 . . . . 71.23 109.794 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -111.54 139.34 47.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.099 0.476 . . . . 74.21 110.644 -176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -151.5 111.03 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.473 -0.785 . . . . 74.33 109.567 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.73 139.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.984 -0.747 . . . . 72.44 108.984 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 p -91.33 128.26 37.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.782 -0.644 . . . . 74.2 110.646 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 CA-C-N 116.034 -0.53 . . . . 41.4 111.846 -178.44 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.493 ' HD2' HD11 ' A' ' 119' ' ' ILE . 19.0 t80 . . . . . 0 C--O 1.234 0.287 0 N-CA-C 109.371 -0.603 . . . . 74.42 109.371 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 82.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.271 0.471 . . . . 74.22 112.271 -175.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.438 ' HG3' ' HA ' ' A' ' 118' ' ' GLU . 19.8 ttm180 -52.49 -45.32 66.14 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.884 -0.598 . . . . 70.43 110.772 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.41 -46.39 83.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.528 -0.76 . . . . 63.52 111.074 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 73.2 110.546 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 m -61.71 -37.43 84.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.158 0.504 . . . . 73.23 110.261 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -46.9 78.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.598 -0.728 . . . . 52.34 109.858 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.38 -52.25 66.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.828 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -57.41 11.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.555 -0.748 . . . . 63.1 110.278 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.373 -0.83 . . . . 74.43 111.242 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.78 -45.78 92.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.831 0.348 . . . . 61.14 110.804 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.61 -45.88 70.76 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.006 -0.543 . . . . 73.43 111.505 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 75.0 mt -79.41 -9.75 59.66 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.039 0.447 . . . . 74.52 110.683 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 68.19 42.03 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.309 -0.86 . . . . 74.53 111.932 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.78 133.46 35.64 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.685 -1.228 . . . . 73.12 107.685 165.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -114.98 172.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.121 -0.326 . . . . 63.31 110.121 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.69 -135.1 8.09 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.467 -1.053 . . . . 63.55 110.467 -175.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.23 152.19 7.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.315 0.558 . . . . 74.34 111.192 178.329 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.5 t -138.87 143.13 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.291 -0.413 . . . . 72.34 110.23 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.455 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 11.1 t -151.31 162.21 41.32 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.169 0.918 . . . . 62.0 110.293 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -105.46 123.77 48.44 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.602 -0.518 . . . . 73.4 109.602 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 68' ' ' ASN . 43.6 m-80 -76.72 150.04 36.31 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.983 -0.377 . . . . 74.0 109.983 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.16 -28.37 64.67 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.453 0.471 . . . . 73.5 112.052 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.11 -19.67 61.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.662 0.268 . . . . 73.01 110.664 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.26 -33.6 3.61 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 121.12 -0.562 . . . . 64.4 112.837 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -64.91 145.32 56.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.732 0.301 . . . . 74.3 111.695 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.67 138.46 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.936 -0.764 . . . . 61.55 108.936 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -143.36 166.64 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 50.11 111.144 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.03 -166.15 38.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.497 -0.641 . . . . 53.55 111.497 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -137.18 141.59 39.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.958 0.379 . . . . 74.14 110.017 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -118.29 143.34 29.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 123.622 0.576 . . . . 73.44 110.0 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 63' ' ' VAL . 1.2 mt-30 -143.07 140.91 31.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.154 -0.684 . . . . 75.34 109.154 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.1 30.1 Favored Glycine 0 CA--C 1.516 0.103 0 C-N-CA 120.656 -0.783 . . . . 73.2 112.627 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.7 Cg_endo -56.53 138.59 85.05 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.032 2.488 . . . . 73.32 111.413 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' HD2' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -68.19 -23.83 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 71.14 110.76 -169.581 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE2' ' HD2' ' A' ' 82' ' ' LYS . 1.9 pm0 -70.23 -40.58 74.39 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.289 0.566 . . . . 53.44 110.354 176.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.554 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -73.88 -32.15 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.657 -0.702 . . . . 73.41 110.285 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.03 -39.75 85.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.717 -0.475 . . . . 73.43 109.717 174.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 89' ' ' VAL . 12.2 t70 -62.21 -40.73 97.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.919 -0.582 . . . . 72.04 109.556 173.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.49 95.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.575 -0.739 . . . . 62.15 110.578 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.444 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 13.3 t80 -69.74 -47.11 64.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 74.13 110.517 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.9 p -64.33 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 71.34 110.398 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.57 -47.58 84.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 73.32 109.672 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.46 -41.85 86.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.047 -0.979 . . . . 72.24 110.8 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -34.28 76.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 60.14 110.271 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -61.04 -20.67 62.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.416 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -60.41 -42.73 96.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.012 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.23 -148.8 19.51 Favored Glycine 0 C--O 1.229 -0.197 0 CA-C-N 116.059 -0.519 . . . . 31.54 111.927 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 49.2 m -134.35 136.21 25.42 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 117.007 0.404 . . . . 75.45 110.729 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 2.9 Cg_exo -76.79 -36.06 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.646 2.23 . . . . 63.34 112.764 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -87.19 -16.57 34.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 75.23 111.641 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.6 m -137.72 147.94 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.694 0.283 . . . . 74.13 110.896 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.87 113.24 25.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.076 -0.511 . . . . 75.45 110.923 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -85.55 139.27 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.324 -0.621 . . . . 73.33 109.324 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.656 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -88.58 -45.88 9.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.532 -0.304 . . . . 64.2 110.843 -178.233 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -167.66 138.85 2.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.74 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.57 140.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.492 -0.558 . . . . 63.52 109.492 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.8 m -138.1 134.78 35.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 110.115 -0.328 . . . . 74.04 110.115 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mm -120.37 149.01 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.284 -0.636 . . . . 72.12 109.284 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 29.2 m170 -129.42 154.12 47.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.038 0.447 . . . . 72.44 110.798 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.79 6.08 2.19 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.558 1.143 . . . . 71.54 113.994 -171.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 m -59.76 130.29 46.08 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.415 0.626 . . . . 75.32 111.738 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 p -82.39 178.43 8.24 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.974 -1.012 . . . . 73.01 112.303 -171.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -42.89 125.52 3.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.835 -1.075 . . . . 70.34 112.978 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.68 176.25 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.633 -0.712 . . . . 64.31 110.23 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.91 133.04 33.97 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.503 -0.555 . . . . 74.32 109.503 173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.61 146.57 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.063 0.394 . . . . 61.52 112.063 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 10.4 m-20 -120.24 -53.54 2.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.023 -0.535 . . . . 74.33 110.429 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.36 149.57 5.1 Favored Glycine 0 C--O 1.238 0.355 0 C-N-CA 121.176 -0.535 . . . . 52.42 112.528 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -92.66 112.52 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.808 -0.441 . . . . 64.33 109.808 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.438 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 13.9 pt-20 -158.93 126.59 4.97 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.744 0.307 . . . . 71.34 110.343 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.493 HD11 ' HD2' ' A' ' 48' ' ' PHE . 38.3 mm -66.95 85.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 72.11 109.187 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.455 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 33.6 ttt180 -89.86 124.89 35.08 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.734 -1.121 . . . . 74.21 110.274 -175.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.697 -0.668 . . . . 75.33 109.601 177.095 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.865 0.364 . . . . 72.33 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.81 127.05 33.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.698 -0.482 . . . . 63.04 109.698 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -151.51 120.66 6.74 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.16 -0.311 . . . . 73.32 110.16 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.55 155.31 31.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.711 -0.478 . . . . 74.33 109.711 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -117.52 148.01 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.551 -0.295 . . . . 72.12 110.536 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -91.09 177.18 6.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 74.41 111.103 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -154.98 143.13 20.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.886 -0.597 . . . . 74.24 109.659 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -162.25 148.8 13.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.605 0.241 . . . . 75.44 110.773 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.75 174.09 11.1 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.037 -0.529 . . . . 63.23 109.818 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.39 -159.46 13.54 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.323 0.389 . . . . 74.43 112.138 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -137.36 -178.64 5.31 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.705 0.288 . . . . 73.24 110.781 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -123.51 119.51 30.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.455 -0.339 . . . . 73.43 110.695 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.54 104.81 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.689 -0.486 . . . . 62.32 109.689 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.63 -178.4 6.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.087 -0.506 . . . . 75.13 111.858 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -127.94 149.79 50.17 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.002 -0.544 . . . . 73.54 110.568 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 p -97.63 111.96 24.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 73.04 109.757 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.78 120.17 19.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.874 0.369 . . . . 71.34 110.71 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 175.96 53.8 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.07 -0.514 . . . . 71.43 113.095 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -95.63 -155.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.573 2.849 . . . . 74.15 112.595 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.5 179.72 29.61 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.651 -0.979 . . . . 74.25 110.651 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.1 m -152.47 109.61 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.595 0.697 . . . . 73.2 111.428 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 88.2 mtp -144.67 -171.9 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.237 -1.023 . . . . 73.31 108.237 173.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -178.84 147.44 0.37 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.493 0.187 . . . . 74.11 110.617 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.06 114.43 0.61 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 111.534 -0.627 . . . . 71.41 111.534 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 p -148.22 123.2 10.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.662 0.231 . . . . 60.0 111.023 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.5 mtt -139.03 121.65 10.49 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.146 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.17 106.1 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.235 1.957 . . . . 74.34 110.518 172.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.3 t -108.49 172.04 7.07 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.105 -0.498 . . . . 70.24 110.469 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 m -123.89 -0.15 8.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.914 -0.584 . . . . 73.11 110.087 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.611 ' O ' HG13 ' A' ' 33' ' ' VAL . 15.5 m -66.51 142.23 57.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.989 -0.551 . . . . 75.4 110.846 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.75 -26.09 5.17 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.081 0.553 . . . . 62.5 112.064 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.09 -23.31 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.499 0.555 . . . . 74.21 112.499 -173.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 30' ' ' SER . 9.4 p -64.71 106.97 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.97 0.891 . . . . 64.33 110.703 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.4 m -100.01 155.01 17.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.751 -1.113 . . . . 74.34 110.966 -173.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.4 m -148.71 131.83 16.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.509 -0.314 . . . . 74.11 110.504 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -144.1 145.18 31.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.626 -0.509 . . . . 74.5 109.626 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.654 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 78.3 m -85.77 138.35 32.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.056 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -111.88 144.25 41.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.628 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -155.2 111.64 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.27 -0.641 . . . . 74.33 109.27 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.9 p -115.11 145.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.365 -0.379 . . . . 72.44 110.264 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p -103.83 146.67 28.29 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.791 -0.818 . . . . 74.2 108.791 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.17 162.15 26.01 Favored Glycine 0 C--O 1.234 0.102 0 C-N-CA 120.252 -0.975 . . . . 41.4 113.321 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -68.08 147.28 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.704 -0.48 . . . . 54.14 109.704 175.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.8 m -81.47 77.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.912 0.863 . . . . 73.31 109.475 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -137.77 -53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.965 -1.016 . . . . 75.34 110.245 -174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.48 154.71 25.72 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 111.744 -0.542 . . . . 52.52 111.744 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.8 m -79.23 171.79 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.941 0.401 . . . . 73.2 111.463 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' HB3' HG12 ' A' ' 119' ' ' ILE . 4.6 t80 -77.55 127.39 32.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.351 -0.84 . . . . 74.42 109.915 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' HB2' ' HG ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -69.78 96.4 0.98 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.121 0.415 . . . . 74.22 112.121 -177.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.593 ' NH1' ' HB3' ' A' ' 118' ' ' GLU . 9.4 ttt85 -51.81 -28.91 17.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.056 -0.52 . . . . 70.43 110.439 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 40.4 ttmt -51.16 -68.9 0.13 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.583 175.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -69.62 -30.65 68.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.506 . . . . 73.2 111.239 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.6 m -63.73 -51.05 66.69 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.924 0.393 . . . . 73.23 110.628 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -70.83 -37.21 73.18 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.737 -0.468 . . . . 52.34 109.737 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HB3' ' HZ1' ' A' ' 55' ' ' LYS . 8.5 mtpm? -57.54 -42.24 82.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.067 -0.346 . . . . 65.33 110.067 175.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.41 -53.47 56.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.907 -0.588 . . . . 63.1 110.054 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' HE2' ' A' ' 88' ' ' PHE . . . -60.12 -42.65 95.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.571 -0.741 . . . . 74.43 111.354 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -67.2 -38.34 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 61.14 110.826 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.64 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 73.43 111.084 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.63 -3.56 58.21 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.101 -0.499 . . . . 74.52 111.46 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t 68.38 42.43 1.63 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.914 0.388 . . . . 74.53 111.51 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.84 144.21 27.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.911 0.386 . . . . 73.12 110.312 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.9 m -120.76 161.94 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 63.31 109.284 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.47 -135.16 5.82 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.392 -0.683 . . . . 63.55 111.392 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.03 147.2 5.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.089 0.444 . . . . 74.34 111.307 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.3 t -138.81 145.29 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.486 -0.324 . . . . 72.34 110.617 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.652 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.7 t -156.77 161.8 39.77 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 62.0 110.422 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.696 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.0 t-20 -94.65 154.4 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.662 -0.866 . . . . 73.4 108.662 173.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -118.18 158.75 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.676 0.274 . . . . 74.0 110.886 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.13 -21.92 66.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.92 -0.582 . . . . 73.5 109.728 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -19.61 66.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.567 -0.742 . . . . 73.01 110.199 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.3 -35.1 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.541 -0.754 . . . . 64.4 111.37 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.8 p -69.44 152.16 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.144 0.497 . . . . 74.3 111.726 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -102.25 119.24 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.102 -0.703 . . . . 61.55 109.102 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -120.95 172.22 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 50.11 110.89 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.73 -164.33 36.29 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.611 -0.596 . . . . 53.55 111.611 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -140.63 136.72 35.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 116.953 0.376 . . . . 74.14 110.039 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.7 t -112.14 136.69 47.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 O-C-N 123.559 0.537 . . . . 73.44 110.183 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.6 mt-30 -135.69 148.96 49.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 75.34 109.365 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.01 -170.61 28.63 Favored Glycine 0 CA--C 1.511 -0.196 0 N-CA-C 111.041 -0.824 . . . . 73.2 111.041 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.577 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 9.7 Cg_endo -54.13 142.49 66.36 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 121.99 1.793 . . . . 73.32 111.307 175.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -43.8 -51.99 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.463 -0.789 . . . . 71.14 111.16 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 5.9 pt-20 -70.71 -31.68 68.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 53.44 112.124 -171.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.577 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -73.06 -38.79 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 73.41 110.357 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -57.77 -41.61 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 108.736 -0.838 . . . . 73.43 108.736 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 8.0 t70 -57.75 -46.09 84.98 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.357 -0.838 . . . . 72.04 110.19 173.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.12 75.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.041 0.448 . . . . 62.15 110.519 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.451 ' HE2' ' HB3' ' A' ' 57' ' ' ALA . 7.8 t80 -69.49 -42.95 74.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.726 -0.67 . . . . 74.13 110.845 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 86' ' ' ASP . 7.4 p -67.72 -35.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 71.34 110.435 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 31.1 mmtp -64.63 -39.28 93.42 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.45 -0.574 . . . . 73.32 109.45 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -61.47 -42.46 98.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.728 -0.669 . . . . 72.24 109.857 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.44 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.74 -31.49 72.69 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.85 -0.614 . . . . 60.14 110.416 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -64.89 -29.19 70.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.997 0.427 . . . . 73.34 110.624 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.88 -35.97 20.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.966 -0.561 . . . . 75.41 109.779 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.37 -162.92 39.83 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.419 -0.809 . . . . 31.54 111.818 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.505 ' HB3' ' OG ' ' A' ' 99' ' ' SER . 15.4 t -81.78 140.55 47.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.644 -0.873 . . . . 75.45 108.644 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -48.58 -35.57 29.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.257 2.638 . . . . 63.34 113.59 -173.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.76 14.29 25.67 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.064 0.394 . . . . 75.23 112.064 -174.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 96' ' ' SER . 78.0 p -115.07 102.65 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.659 -0.497 . . . . 74.13 109.659 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.41 99.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 75.45 110.184 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.66 131.67 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.852 -0.613 . . . . 73.33 110.896 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -84.23 -57.97 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 64.2 110.401 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -153.7 137.44 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 72.44 109.87 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -100.44 140.52 19.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 109.959 -0.386 . . . . 63.52 109.959 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 m -137.74 121.99 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.92 -0.4 . . . . 74.04 109.92 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.0 mm -113.28 160.47 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.182 -0.673 . . . . 72.12 109.182 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 23.6 t-80 -139.31 144.52 38.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.145 0.498 . . . . 72.44 110.721 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 6.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.599 1.333 . . . . 71.54 114.599 -171.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.654 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.3 130.22 45.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.518 0.675 . . . . 75.32 111.628 -166.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.7 t -69.38 178.51 2.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.401 -1.272 . . . . 73.01 111.759 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -43.21 130.28 4.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.939 -1.028 . . . . 70.34 112.957 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.09 176.3 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.777 -1.102 . . . . 64.31 108.729 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -98.62 121.43 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.26 -0.274 . . . . 74.32 110.26 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.74 151.89 10.43 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.999 -0.546 . . . . 61.52 112.012 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -135.89 -38.21 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.363 -0.381 . . . . 74.33 111.59 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 144.85 142.32 3.84 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.585 -0.817 . . . . 52.42 113.49 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -93.69 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.516 -0.55 . . . . 64.33 109.516 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.593 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 11.5 pt-20 -162.79 120.35 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 71.34 111.088 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.696 HG23 ' HB2' ' A' ' 68' ' ' ASN . 2.1 mp -64.75 86.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.527 0.679 . . . . 72.11 110.017 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.652 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.5 mtt180 -78.31 139.02 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.044 -0.98 . . . . 74.21 110.255 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 115.414 -0.812 . . . . 75.33 109.696 -172.481 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.892 0.377 . . . . 72.33 110.228 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.73 59.19 5.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.986 0.422 . . . . 63.04 110.559 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -64.45 95.49 0.14 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.827 -0.624 . . . . 73.32 110.223 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -94.72 167.05 11.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.627 -0.715 . . . . 74.33 110.399 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -140.42 138.98 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 72.12 109.875 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -61.18 117.78 6.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.966 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -109.3 11.22 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.313 0.486 . . . . 74.24 112.313 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -80.9 103.96 11.08 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.436 -0.579 . . . . 75.44 109.436 172.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.2 tpp -67.89 -60.78 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 63.23 110.242 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.88 149.21 9.81 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.447 -0.882 . . . . 74.43 113.197 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -143.79 115.41 8.15 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.066 0.546 . . . . 73.24 110.129 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -102.34 99.85 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 73.43 109.637 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -136.28 138.92 42.26 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.078 -0.51 . . . . 62.32 110.823 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.68 -166.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 75.13 109.377 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -151.26 -175.81 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.87 -0.419 . . . . 73.54 109.87 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.4 t -148.39 170.46 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 73.04 109.74 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -115.22 175.24 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 71.34 110.67 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.04 168.38 22.01 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 111.359 -0.696 . . . . 71.43 111.359 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.54 -43.72 9.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.596 2.197 . . . . 74.15 112.466 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.89 -73.31 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.025 -0.607 . . . . 74.25 111.809 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 p 46.97 24.63 0.38 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.869 0.867 . . . . 73.2 112.937 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 22' ' ' MET . 0.4 OUTLIER -83.75 128.15 34.32 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.956 -0.387 . . . . 73.31 109.956 179.309 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -150.73 150.41 31.01 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.03 -0.532 . . . . 74.11 110.194 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.43 90.99 0.97 Allowed Glycine 0 C--N 1.329 0.181 0 C-N-CA 121.246 -0.502 . . . . 71.41 112.638 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -147.36 121.79 9.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.826 -0.435 . . . . 60.0 109.826 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.4 mtt -100.98 148.12 34.65 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 116.416 -0.356 . . . . 62.34 110.677 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.37 -171.11 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.044 2.496 . . . . 74.34 112.726 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 t -138.34 153.07 48.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.956 -0.565 . . . . 70.24 110.099 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -70.56 158.64 35.78 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.623 -0.51 . . . . 73.11 109.623 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.3 t -99.28 -54.75 2.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.868 0.366 . . . . 75.4 110.888 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.3 112.77 9.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.152 -0.477 . . . . 62.5 110.566 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.44 -31.51 21.36 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.612 -0.514 . . . . 74.21 109.612 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p -100.01 150.02 5.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.875 -0.602 . . . . 64.33 110.213 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -118.8 138.79 52.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 74.34 109.614 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -143.45 133.8 24.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.812 -0.44 . . . . 74.11 109.812 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.14 135.33 28.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 74.5 109.531 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.712 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 84.8 m -88.19 135.12 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.226 -0.657 . . . . 71.23 109.226 175.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.73 146.77 36.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.076 0.465 . . . . 74.21 111.007 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -153.47 110.77 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.491 -0.929 . . . . 74.33 108.491 169.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 p -120.12 148.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.939 0.399 . . . . 72.44 110.896 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 31.1 p -101.19 148.27 25.29 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.523 ' HA3' HG22 ' A' ' 47' ' ' VAL . . . -121.06 146.47 17.42 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.893 -0.67 . . . . 41.4 112.926 -177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -63.98 -36.14 82.98 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.366 0.603 . . . . 54.14 110.051 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.22 167.4 15.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.367 -0.833 . . . . 73.31 109.436 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -67.56 -26.62 66.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.09 0.471 . . . . 75.34 110.857 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.41 59.03 4.96 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.061 -0.816 . . . . 52.52 111.061 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG13 ' HD1' ' A' ' 48' ' ' PHE . 19.2 t -63.58 -49.42 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.014 0.435 . . . . 73.2 111.505 -173.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' HD1' HG13 ' A' ' 47' ' ' VAL . 3.4 m-85 -126.93 140.11 52.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.873 -0.603 . . . . 74.42 111.136 -174.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' HD2' ' HB3' ' A' ' 96' ' ' SER . 81.0 m-85 -97.84 116.19 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 74.22 109.366 173.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -49.26 -41.1 36.75 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.239 0.615 . . . . 70.43 111.48 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -63.1 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 63.52 110.983 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' HB3' ' HH ' ' A' ' 91' ' ' TYR . 10.4 m-85 -74.11 -38.09 63.93 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.475 -0.33 . . . . 73.2 110.555 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -60.58 -47.07 87.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.158 -0.474 . . . . 73.23 109.916 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.687 ' HZ2' ' HB3' ' A' ' 54' ' ' LYS . 4.7 mmmp? -66.34 -42.82 87.58 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 115.804 -0.634 . . . . 52.34 110.683 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.96 -52.38 58.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.062 0.458 . . . . 65.33 110.509 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -62.27 -52.04 65.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.331 -0.85 . . . . 63.1 110.529 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.95 97.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.542 -0.754 . . . . 74.43 111.43 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.88 -46.32 72.03 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.929 0.395 . . . . 61.14 110.45 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.12 74.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.834 -0.621 . . . . 73.43 111.597 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.72 -11.58 50.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.248 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.7 m 67.84 51.9 0.76 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.353 0.596 . . . . 74.53 111.721 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.74 136.91 32.76 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.672 -0.694 . . . . 73.12 109.355 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 79' ' ' GLN . 22.8 m -111.29 158.78 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.195 -0.668 . . . . 63.31 109.195 175.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.62 -134.25 5.39 Favored Glycine 0 C--O 1.237 0.336 0 N-CA-C 110.852 -0.899 . . . . 63.55 110.852 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 151.34 6.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.087 0.444 . . . . 74.34 111.299 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.9 t -138.88 142.88 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 72.34 110.153 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.503 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 15.2 t -154.34 162.01 41.42 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 123.998 0.811 . . . . 62.0 110.436 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' HB2' HG22 ' A' ' 119' ' ' ILE . 12.0 t-20 -98.0 155.09 17.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.901 0.481 . . . . 73.4 111.075 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.513 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 13.5 m120 -117.24 161.05 20.11 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.198 -0.456 . . . . 74.0 110.413 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -53.5 -43.27 68.13 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.467 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.37 14.12 0.27 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.68 0.622 . . . . 73.01 112.68 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.11 33.82 61.96 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.281 -0.728 . . . . 64.4 111.281 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.513 ' HB2' ' HB2' ' A' ' 69' ' ' ASN . 14.5 m -109.32 171.64 7.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.429 -0.386 . . . . 74.3 110.15 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.53 114.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.079 -0.711 . . . . 61.55 109.079 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.4 p -111.9 162.68 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 50.11 110.529 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.8 -166.21 38.45 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 53.55 112.502 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.9 t -138.16 137.27 44.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.832 -0.432 . . . . 74.14 109.832 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.56 138.58 45.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 109.493 -0.558 . . . . 73.44 109.493 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HB2' HG22 ' A' ' 63' ' ' VAL . 4.9 mt-30 -138.57 134.4 33.78 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.787 -0.449 . . . . 75.34 109.787 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.93 -170.01 35.99 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.241 -0.744 . . . . 73.2 111.241 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.4 Cg_endo -65.51 146.89 86.06 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.143 1.895 . . . . 73.32 111.296 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -46.67 -46.92 20.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 122.951 0.5 . . . . 71.14 111.374 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -43.78 88.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.365 -0.379 . . . . 53.44 111.621 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.491 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.5 mp0 -74.44 -36.18 63.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.586 0.231 . . . . 73.41 110.816 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.05 -34.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.361 -0.607 . . . . 73.43 109.361 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 10.4 t70 -67.08 -39.86 86.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.138 -0.937 . . . . 72.04 109.957 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.27 91.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.229 0.538 . . . . 62.15 110.281 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -66.63 -50.42 63.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.343 -0.844 . . . . 74.13 110.538 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.04 -35.0 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 71.34 109.989 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -60.27 -45.62 92.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.56 -0.745 . . . . 73.32 109.488 177.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.513 ' HH ' ' HB3' ' A' ' 52' ' ' TYR . 58.0 t80 -65.04 -39.4 93.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 72.24 110.275 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -40.11 91.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 60.14 110.389 -177.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.69 -28.78 67.59 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.206 0.526 . . . . 73.34 110.398 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -83.16 -37.54 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.457 -0.792 . . . . 75.41 109.48 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.58 -164.24 51.99 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.197 -1.161 . . . . 31.54 110.197 -169.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.603 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 69.1 m -71.52 135.14 84.02 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.403 -0.962 . . . . 75.45 108.403 171.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.02 -23.24 5.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.27 2.647 . . . . 63.34 114.575 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -117.79 10.2 13.19 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.077 0.399 . . . . 75.23 112.077 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.603 ' OG ' ' HB2' ' A' ' 96' ' ' SER . 7.5 p -140.69 108.86 5.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.099 0.476 . . . . 74.13 110.355 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.3 t -77.48 138.59 20.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.715 -0.675 . . . . 75.45 111.48 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.3 m -91.05 146.21 6.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.559 . . . . 73.33 110.729 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.42 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 86.5 tttt -73.39 -53.14 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 64.2 110.333 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -168.16 140.18 2.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.038 -0.528 . . . . 72.44 110.397 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -98.79 148.53 6.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.85 0.357 . . . . 63.52 110.87 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 m -135.33 132.95 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.317 -0.623 . . . . 74.04 109.317 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.8 mm -125.5 153.25 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.655 0.265 . . . . 72.12 110.963 -173.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.531 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.6 m170 -132.65 153.99 50.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.802 0.334 . . . . 72.44 110.456 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.54 5.98 22.14 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.849 1.055 . . . . 71.54 113.849 -167.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.712 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.1 m -59.83 137.69 57.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.156 0.503 . . . . 75.32 111.974 -167.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -80.25 178.69 8.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.867 -1.061 . . . . 73.01 111.883 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.83 142.36 11.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.111 -0.949 . . . . 70.34 112.446 -172.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.28 176.29 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.681 -1.145 . . . . 64.31 109.183 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.16 131.65 35.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.629 -0.508 . . . . 74.32 109.629 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.9 153.74 30.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 61.52 111.786 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.39 -50.48 2.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.044 -0.525 . . . . 74.33 110.224 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 146.86 151.62 5.46 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.935 -0.65 . . . . 52.42 113.055 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -93.95 112.32 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.624 -0.51 . . . . 64.33 109.624 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.72 131.17 3.97 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.039 0.447 . . . . 71.34 110.634 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 68' ' ' ASN . 36.4 mm -68.02 86.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.421 0.629 . . . . 72.11 110.579 -176.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.503 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 77.7 mtt180 -90.31 144.54 25.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.273 -0.876 . . . . 74.21 110.305 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.498 -0.763 . . . . 75.33 109.46 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.905 0.383 . . . . 72.33 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.9 30.1 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 63.04 110.775 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -66.38 83.8 0.09 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.306 -0.406 . . . . 73.32 110.261 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -86.05 141.99 29.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 74.33 109.836 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -120.75 143.18 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.765 0.317 . . . . 72.12 110.325 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -128.79 108.63 10.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 74.41 109.829 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -155.58 142.21 18.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.445 -0.343 . . . . 74.24 110.25 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.86 155.49 26.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.546 . . . . 75.44 110.382 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.67 177.16 3.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.091 -0.504 . . . . 63.23 109.994 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.66 172.15 33.26 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.282 -0.485 . . . . 74.43 112.271 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -148.13 157.12 43.33 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.069 0.548 . . . . 73.24 109.634 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.6 tp -69.43 -27.18 65.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.366 0.603 . . . . 73.43 109.559 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.25 102.55 1.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.387 -0.824 . . . . 62.32 110.25 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.13 152.68 33.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.13 109.821 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -156.16 176.98 11.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.935 0.398 . . . . 73.54 111.096 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -166.31 122.91 1.3 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.498 -0.774 . . . . 73.04 109.426 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -167.78 168.88 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 71.34 110.798 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.86 166.82 43.36 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.392 -0.683 . . . . 71.43 111.392 173.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.99 1.17 8.49 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.769 2.313 . . . . 74.15 112.558 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.13 44.01 6.11 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.098 -0.572 . . . . 74.25 111.767 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -124.68 105.36 9.26 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 110.095 -0.335 . . . . 73.2 110.095 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -138.26 148.93 45.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 73.31 110.149 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -113.29 101.47 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.565 -0.531 . . . . 74.11 109.565 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.83 -47.23 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.317 0 N-CA-C 109.957 -1.257 . . . . 71.41 109.957 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -88.39 166.57 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.443 -0.947 . . . . 60.0 108.443 167.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.437 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 26.2 ptt? -77.1 109.47 9.21 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.456 -0.572 . . . . 62.34 109.456 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 16.4 Cg_exo -67.7 110.89 2.22 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.828 2.352 . . . . 74.34 112.65 -173.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -91.64 150.2 21.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.602 -0.727 . . . . 70.24 109.347 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 m -59.77 101.72 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.268 0.556 . . . . 73.11 110.683 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -73.52 -24.22 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.434 -0.803 . . . . 75.4 111.136 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -81.53 95.18 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.323 0.582 . . . . 62.5 109.673 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.8 -31.85 69.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.652 -0.704 . . . . 74.21 110.226 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.3 120.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.305 -0.998 . . . . 64.33 108.305 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -76.85 111.12 12.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.452 . . . . 74.34 110.017 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.406 HG21 ' HG2' ' A' ' 79' ' ' GLN . 55.8 m -118.1 126.26 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.543 -0.753 . . . . 74.11 110.431 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.06 134.9 28.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.889 -0.782 . . . . 74.5 108.889 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.767 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 44.1 m -87.0 138.29 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.008 -0.367 . . . . 71.23 110.008 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.618 ' HH ' ' HB ' ' A' ' 89' ' ' VAL . 2.3 m-85 -111.79 140.04 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 74.21 110.303 -175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.8 ttp180 -149.31 114.68 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.246 -0.434 . . . . 74.33 109.894 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG12 ' HB ' ' A' ' 74' ' ' VAL . 9.9 p -111.57 142.0 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.021 -0.363 . . . . 72.44 110.021 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -106.67 133.77 50.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.724 -0.472 . . . . 74.2 109.724 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.81 178.2 43.75 Favored Glycine 0 C--O 1.235 0.21 0 C-N-CA 121.162 -0.542 . . . . 41.4 111.772 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HD2' HG12 ' A' ' 44' ' ' VAL . 4.5 tmtm? -59.73 -63.0 1.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.528 -0.915 . . . . 54.14 108.528 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 43' ' ' LYS . 19.5 m -123.01 -176.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.551 -0.75 . . . . 73.31 109.36 172.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.43 102.09 0.1 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.962 0.411 . . . . 75.34 110.386 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.26 178.83 17.71 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.839 -0.619 . . . . 52.52 111.96 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -112.75 163.63 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 73.2 111.1 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.431 ' HB2' HG22 ' A' ' 74' ' ' VAL . 4.5 t80 -108.35 -174.18 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.774 -0.824 . . . . 74.42 108.774 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -117.17 92.8 3.95 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.249 0.547 . . . . 74.22 111.644 -177.266 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -51.91 -42.26 62.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.088 -0.96 . . . . 70.43 111.279 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 39.1 ttmt -55.49 -54.04 48.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.638 -0.71 . . . . 63.52 111.139 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . 18.5 m-85 -74.35 -29.4 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 73.2 111.004 -174.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.9 m -64.14 -46.04 85.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.152 0.501 . . . . 73.23 109.821 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.04 -51.07 71.63 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.554 -0.748 . . . . 52.34 110.174 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 27.5 mtpp -59.53 -41.74 90.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 65.33 111.104 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.73 -55.73 27.1 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.128 0.49 . . . . 63.1 110.145 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.75 89.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.639 -0.709 . . . . 74.43 110.963 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.03 -37.77 84.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 61.14 110.735 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -49.71 21.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.978 -0.555 . . . . 73.43 111.587 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.23 -2.4 58.58 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.213 -0.448 . . . . 74.52 111.981 -175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.8 t 67.87 46.88 1.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.78 0.432 . . . . 74.53 112.006 173.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.38 133.91 45.27 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.679 -0.489 . . . . 73.12 109.679 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -111.88 164.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.507 -0.553 . . . . 63.31 109.507 175.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.59 -129.95 3.49 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.885 -0.674 . . . . 63.55 112.013 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 149.48 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.083 0.441 . . . . 74.34 111.365 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.1 t -138.85 147.88 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.556 -0.293 . . . . 72.34 110.358 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.528 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.1 t -160.67 161.93 32.49 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.666 0.604 . . . . 62.0 110.137 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.751 ' HB2' HG21 ' A' ' 119' ' ' ILE . 3.7 t-20 -95.34 154.01 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.793 -0.447 . . . . 73.4 109.793 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.99 146.7 49.77 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.509 -0.552 . . . . 74.0 109.509 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.28 -4.45 10.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.519 -0.309 . . . . 73.5 111.621 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.29 -2.42 24.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.494 -0.321 . . . . 73.01 110.746 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.48 39.97 20.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.91 -0.876 . . . . 64.4 110.91 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 p -143.32 151.24 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.401 -0.399 . . . . 74.3 110.603 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.431 HG22 ' HB2' ' A' ' 48' ' ' PHE . 24.8 t -110.21 124.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.099 -0.704 . . . . 61.55 109.099 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.4 t -129.91 156.36 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 50.11 110.948 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.53 35.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.003 -0.544 . . . . 53.55 111.961 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.576 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.7 t -136.36 137.84 47.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 122.458 0.303 . . . . 74.14 110.31 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.2 t -114.32 136.46 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 O-C-N 123.795 0.684 . . . . 73.44 109.729 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.439 ' HB2' HG22 ' A' ' 63' ' ' VAL . 4.2 mt-30 -134.71 132.07 38.4 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.295 -0.631 . . . . 75.34 109.295 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.56 -159.45 31.32 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.2 -0.524 . . . . 73.2 111.952 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.63 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.6 Cg_endo -70.13 136.65 32.54 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.411 2.074 . . . . 73.32 111.455 174.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.659 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.0 -36.74 13.3 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.713 0.634 . . . . 71.14 112.713 -174.383 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.659 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 5.9 pt-20 -70.84 -39.69 72.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.635 0.235 . . . . 53.44 111.635 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.63 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.7 mp0 -75.02 -34.69 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.269 . . . . 73.41 110.367 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.39 -40.6 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.987 -0.746 . . . . 73.43 108.987 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.567 ' O ' HG12 ' A' ' 89' ' ' VAL . 20.5 t70 -64.98 -35.94 82.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.305 -0.862 . . . . 72.04 110.212 175.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.28 94.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.386 0.613 . . . . 62.15 110.073 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -68.29 -38.25 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 74.13 110.499 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.618 ' HB ' ' HH ' ' A' ' 38' ' ' TYR . 6.4 p -69.37 -35.06 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.607 -0.437 . . . . 71.34 110.339 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.03 -47.18 83.88 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.666 -0.494 . . . . 73.32 109.666 171.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 72.24 110.546 174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 60.14 110.589 -178.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -65.87 -21.43 66.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.335 -0.393 . . . . 73.34 111.254 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -72.25 -26.57 62.05 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.378 -0.601 . . . . 75.41 109.378 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.48 -82.71 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.424 -0.807 . . . . 31.54 112.578 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -154.42 113.67 2.45 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 75.45 109.972 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.55 -4.54 11.06 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 63.34 112.764 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 20.8 tptp -121.01 -1.11 9.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.492 -0.322 . . . . 75.23 110.977 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.4 m -144.94 -173.75 4.16 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.833 0.349 . . . . 74.13 111.351 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.0 t -120.09 127.73 75.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.99 -0.55 . . . . 75.45 110.554 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.33 132.76 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.61 -0.515 . . . . 73.33 109.61 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -74.76 -50.31 17.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 64.2 111.423 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.93 140.84 12.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.655 0.264 . . . . 72.44 111.536 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.97 141.82 16.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 63.52 109.793 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 m -137.81 144.58 41.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.643 -0.503 . . . . 74.04 109.643 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mm -124.84 157.02 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.577 -0.527 . . . . 72.12 109.577 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 35.4 t-80 -133.98 147.03 50.96 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.994 0.426 . . . . 72.44 110.346 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.85 6.36 4.09 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.51 1.3 . . . . 71.54 114.51 -169.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.767 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 58.4 m -59.95 130.47 46.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.412 0.625 . . . . 75.32 111.678 -169.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 t -72.84 178.89 3.95 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.821 -1.081 . . . . 73.01 110.819 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.649 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 5.8 tmm_? -46.31 145.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.629 -0.714 . . . . 70.34 112.183 -172.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.649 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 35.3 m -139.79 175.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.843 -1.071 . . . . 64.31 109.422 -177.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -89.03 122.11 32.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.663 -0.495 . . . . 74.32 109.663 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.62 131.95 50.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.439 -0.346 . . . . 61.52 110.468 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.44 -28.95 5.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.629 -0.259 . . . . 74.33 111.134 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.45 141.33 5.04 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.005 -0.617 . . . . 52.42 113.087 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -92.35 111.79 23.49 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.694 -0.854 . . . . 64.33 108.694 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.4 pt-20 -163.74 128.21 2.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 71.34 111.157 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.751 HG21 ' HB2' ' A' ' 68' ' ' ASN . 1.7 mp -68.45 88.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.507 0.67 . . . . 72.11 109.847 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.528 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.0 mtt180 -87.68 139.87 30.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.012 -0.995 . . . . 74.21 110.804 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.146 -0.93 . . . . 75.33 109.101 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 110.021 -0.363 . . . . 72.33 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 78.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.225 0.536 . . . . 63.04 110.868 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -112.9 18.66 17.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.446 -0.946 . . . . 73.32 108.446 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -112.99 118.38 34.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.814 -1.084 . . . . 74.33 111.245 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -132.67 172.6 12.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.393 -0.595 . . . . 72.12 109.393 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.62 98.33 0.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.244 0.545 . . . . 74.41 111.076 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -87.44 63.54 7.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.232 0.539 . . . . 74.24 110.686 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -155.27 100.57 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.573 -0.74 . . . . 75.44 109.683 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.6 ttt -70.68 -55.49 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 63.23 110.456 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 113.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.035 -0.602 . . . . 74.43 112.37 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.8 p -78.45 137.42 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.637 0.256 . . . . 73.24 110.662 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.04 120.82 33.74 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.716 -0.846 . . . . 73.43 108.716 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -105.93 145.26 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.361 . . . . 62.32 110.21 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.36 159.5 39.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 75.13 110.205 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -89.33 -177.78 5.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.325 0.583 . . . . 73.54 111.605 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.3 m -147.41 133.6 19.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.477 -0.783 . . . . 73.04 109.146 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -93.29 172.98 7.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 71.34 110.925 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.1 174.82 16.12 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.789 -0.641 . . . . 71.43 112.114 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.85 -72.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.619 2.213 . . . . 74.15 112.388 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.97 26.79 61.32 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.455 -0.402 . . . . 74.25 112.913 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -90.48 -10.13 44.81 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.651 0.262 . . . . 73.2 111.603 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.0 mmt -65.81 107.62 1.87 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.083 0.468 . . . . 73.31 111.607 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -168.38 125.38 1.06 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.248 -0.887 . . . . 74.11 109.435 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 93.83 1.86 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.21 -0.519 . . . . 71.41 112.241 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -151.03 137.3 18.47 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.911 -0.403 . . . . 60.0 109.911 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 ptm -74.02 144.3 82.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.442 -0.345 . . . . 62.34 110.257 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 127.01 12.9 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.149 1.899 . . . . 74.34 111.055 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.61 168.67 4.55 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.944 0.402 . . . . 70.24 110.58 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -68.87 83.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.988 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -109.36 10.61 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.81 0.814 . . . . 75.4 108.868 170.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.29 35.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.676 -1.147 . . . . 62.5 110.452 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.95 -31.3 68.97 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.202 0.525 . . . . 74.21 109.682 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -100.34 96.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.993 -0.743 . . . . 64.33 108.993 171.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 94.7 m -81.18 128.1 33.39 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.076 -0.965 . . . . 74.34 109.624 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 m -121.44 129.32 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 74.11 110.294 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.35 139.72 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 74.5 109.525 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.3 t -89.86 134.88 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.462 . . . . 71.23 109.751 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -111.8 143.77 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.6 0.36 . . . . 74.21 110.782 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -151.96 110.86 3.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.834 -0.621 . . . . 74.33 109.724 170.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.493 ' HB ' HD13 ' A' ' 92' ' ' LEU . 9.4 p -109.79 140.01 30.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.013 -0.736 . . . . 72.44 109.013 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.486 ' HB ' ' HB3' ' A' ' 102' ' ' LYS . 8.8 m -107.81 149.63 28.0 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 116.372 -0.376 . . . . 74.2 110.088 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.55 133.29 11.58 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.154 -0.778 . . . . 41.4 111.154 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.83 -59.86 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 54.14 109.804 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 44' ' ' VAL . 5.0 p -123.01 94.74 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.613 -0.722 . . . . 73.31 110.072 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 52.94 86.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.588 -0.733 . . . . 75.34 111.272 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.82 72.4 2.58 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.962 -0.563 . . . . 52.52 112.401 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.2 t -70.58 90.28 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.303 0.573 . . . . 73.2 109.471 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' HB3' HG12 ' A' ' 119' ' ' ILE . 20.3 t80 -70.58 121.79 18.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.024 -0.989 . . . . 74.42 110.382 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.85 87.88 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.329 -0.851 . . . . 74.22 112.547 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HB3' HD12 ' A' ' 119' ' ' ILE . 30.6 ptt180 -67.33 -23.15 65.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 115.572 -0.74 . . . . 70.43 110.815 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.17 -53.88 53.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.289 0.566 . . . . 63.52 109.874 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.78 -26.61 59.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.547 -0.751 . . . . 73.2 110.443 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -62.0 -43.02 99.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.148 0.499 . . . . 73.23 109.893 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HZ1' ' HB2' ' A' ' 58' ' ' ASP . 27.5 tptp -63.24 -48.6 77.53 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.471 -0.786 . . . . 52.34 109.562 177.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -52.62 -52.01 57.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.778 -0.646 . . . . 65.33 110.696 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.47 -56.65 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 63.1 110.925 -171.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -65.16 -36.55 84.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 74.43 111.127 -176.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' HZ1' ' A' ' 54' ' ' LYS . 15.1 t70 -66.16 -45.04 82.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.836 0.35 . . . . 61.14 110.645 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.27 -47.6 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.902 -0.59 . . . . 73.43 111.316 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.79 -11.05 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.904 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m 68.09 44.22 1.49 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.09 0.471 . . . . 74.53 111.598 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 57' ' ' ALA . 2.8 mm? -78.78 134.02 37.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.654 -0.499 . . . . 73.12 109.654 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.521 HG22 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -105.79 154.1 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.055 -0.72 . . . . 63.31 109.055 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.72 -137.8 7.97 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.275 -0.73 . . . . 63.55 111.275 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.19 150.18 6.32 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.252 0.526 . . . . 74.34 111.386 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -138.68 146.75 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.521 -0.548 . . . . 72.34 109.521 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.435 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 13.5 t -156.63 162.14 39.87 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.034 0.834 . . . . 62.0 110.019 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.732 ' HB2' HG22 ' A' ' 119' ' ' ILE . 3.3 t-20 -103.81 164.55 11.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.915 -0.402 . . . . 73.4 109.915 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.471 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 32.8 m-80 -132.16 148.53 52.47 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.885 -0.413 . . . . 74.0 109.885 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.93 -16.19 27.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.31 0.576 . . . . 73.5 110.619 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.5 -18.92 65.69 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.242 -0.89 . . . . 73.01 110.933 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.06 25.16 20.55 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.207 -0.521 . . . . 64.4 112.038 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.3 p -132.77 146.12 51.57 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.939 0.399 . . . . 74.3 110.66 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 48' ' ' PHE . 57.2 t -102.31 122.26 54.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 61.55 109.352 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.4 p -125.3 155.43 40.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 50.11 110.93 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.83 -167.26 37.47 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.169 -0.772 . . . . 53.55 111.169 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -140.72 135.99 34.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.7 -0.481 . . . . 74.14 109.7 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.47 140.92 31.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.875 -0.417 . . . . 73.44 109.875 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HG3' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -141.24 141.67 33.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 75.34 110.06 176.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.69 -165.46 32.54 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.158 -0.777 . . . . 73.2 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 13.7 Cg_endo -59.31 144.25 99.46 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.355 2.037 . . . . 73.32 111.855 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -48.26 -44.88 33.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 71.14 111.665 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.18 -33.71 72.09 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.541 -0.3 . . . . 53.44 111.688 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.561 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.1 -43.37 53.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 73.41 110.537 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 89' ' ' VAL . 97.1 t -57.55 -44.42 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.028 -0.73 . . . . 73.43 109.028 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.94 -40.54 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.266 -0.879 . . . . 72.04 110.466 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.33 90.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.021 -0.536 . . . . 62.15 110.563 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.3 t80 -65.44 -39.6 92.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.86 -0.609 . . . . 74.13 109.829 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 85' ' ' VAL . 94.6 t -58.97 -42.34 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.075 0.464 . . . . 71.34 110.149 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -60.47 -47.71 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.606 -0.724 . . . . 73.32 109.661 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.024 -0.989 . . . . 72.24 110.565 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.493 HD13 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.13 -41.77 99.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.75 -0.659 . . . . 60.14 110.398 -177.208 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -72.59 -14.2 61.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.985 -0.552 . . . . 73.34 111.582 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.67 ' HZ1' ' HB2' ' A' ' 94' ' ' LYS . 4.9 ttmp? -69.8 -31.57 69.55 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.376 -0.601 . . . . 75.41 109.376 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.81 179.96 52.1 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.617 -0.72 . . . . 31.54 112.913 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.7 m -82.78 129.86 60.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 109.904 -0.406 . . . . 75.45 109.904 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.62 -21.44 65.45 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.664 2.242 . . . . 63.34 112.912 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -121.33 10.57 10.6 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.542 0.21 . . . . 75.23 111.468 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -150.47 126.98 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 74.13 110.326 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.74 124.96 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 75.45 110.434 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.36 134.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 73.33 110.641 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 64.9 tttm -77.06 -35.11 56.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 64.2 109.633 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.621 ' HB2' ' HZ2' ' A' ' 103' ' ' LYS . 4.1 ttmp? 179.66 142.95 0.15 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.521 -0.763 . . . . 72.44 110.211 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.06 134.48 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.461 -0.57 . . . . 63.52 109.461 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.9 m -135.72 131.54 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.262 -0.273 . . . . 74.04 110.262 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.7 mm -122.13 149.16 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.161 -0.681 . . . . 72.12 109.161 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.4 t60 -132.72 151.69 51.92 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.118 0.485 . . . . 72.44 111.298 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.85 6.15 0.95 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.162 1.385 . . . . 71.54 114.624 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.8 m -59.58 130.28 46.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 0.549 . . . . 75.32 111.559 -165.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -74.83 178.88 5.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.954 -1.021 . . . . 73.01 111.938 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -42.47 120.84 1.78 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.233 1.013 . . . . 70.34 112.361 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.69 176.1 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.621 -0.718 . . . . 64.31 110.395 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.43 131.48 37.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.523 -0.547 . . . . 74.32 109.523 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.26 146.32 47.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.514 -0.312 . . . . 61.52 111.373 -176.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 20.7 t70 -131.96 -45.1 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.842 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.29 141.06 3.63 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.059 -0.591 . . . . 52.42 112.296 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -93.46 112.36 24.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.133 -0.321 . . . . 64.33 110.133 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 67' ' ' THR . 9.7 pt-20 -161.98 136.05 6.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 71.34 110.594 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.732 HG22 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -69.46 86.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.288 -1.005 . . . . 72.11 108.288 174.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.435 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 10.5 ttt85 -82.67 112.4 19.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.496 -1.229 . . . . 74.21 110.299 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.461 -0.781 . . . . 75.33 109.565 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.5 pmm? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.587 0.232 . . . . 72.33 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.99 124.06 24.73 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.739 0.304 . . . . 63.04 110.36 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -111.77 117.14 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.076 -0.342 . . . . 73.32 110.076 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -70.14 101.88 1.95 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.073 0.463 . . . . 74.33 110.215 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -64.69 -29.2 70.19 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.119 -0.491 . . . . 72.12 110.943 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -87.9 127.5 35.36 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.836 -0.802 . . . . 74.41 108.836 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -69.24 -87.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 74.24 110.485 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 173.19 135.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.622 0.576 . . . . 75.44 109.704 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -96.41 116.25 28.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 63.23 110.461 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.04 73.73 1.7 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.364 -0.446 . . . . 74.43 111.99 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 p -69.86 116.76 10.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.91 0.337 . . . . 73.24 111.91 -176.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.13 154.07 21.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.864 -0.607 . . . . 73.43 109.725 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.69 170.14 21.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.66 0.267 . . . . 62.32 110.965 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 168.28 14.25 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.991 -0.55 . . . . 75.13 110.587 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -82.11 131.98 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 73.54 110.638 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 p -129.8 146.27 51.54 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.322 -0.399 . . . . 73.04 110.829 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -147.88 17.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.993 0.425 . . . . 71.34 110.421 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -73.62 143.5 32.69 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.84 -0.618 . . . . 71.43 111.565 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 57.7 Cg_endo -94.69 -165.19 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.234 2.622 . . . . 74.15 112.291 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.86 -161.08 16.71 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.723 -0.671 . . . . 74.25 111.757 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -89.14 142.16 27.89 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.782 0.325 . . . . 73.2 111.377 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 tpt -79.84 88.63 5.25 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.371 -0.603 . . . . 73.31 109.371 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.34 113.69 25.3 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.987 -0.551 . . . . 74.11 111.077 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.22 160.84 17.44 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.609 -0.596 . . . . 71.41 111.609 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 p -147.97 159.23 44.1 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.809 0.338 . . . . 60.0 110.808 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.495 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 83.7 mtp -143.21 171.65 6.7 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 109.279 -0.638 . . . . 62.34 109.279 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 26' ' ' MET . 72.5 Cg_exo -49.93 113.18 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.026 1.817 . . . . 74.34 111.653 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -150.74 109.96 3.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 70.24 109.617 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 p -60.46 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.766 -0.652 . . . . 73.11 111.609 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -80.86 149.54 29.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.239 -0.652 . . . . 75.4 109.239 175.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.03 128.82 37.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 62.5 110.826 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -70.24 -31.02 68.24 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.712 -0.676 . . . . 74.21 110.866 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.0 t -97.83 100.36 10.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.323 -0.621 . . . . 64.33 109.323 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 m -92.12 152.72 19.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.277 -0.874 . . . . 74.34 110.286 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -142.99 131.5 22.34 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.353 -0.61 . . . . 74.11 109.353 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.52 140.77 33.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.653 -0.499 . . . . 74.5 109.653 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.1 t -87.09 133.58 33.6 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.263 -0.643 . . . . 71.23 109.263 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' HH ' HG23 ' A' ' 89' ' ' VAL . 1.8 m-85 -111.58 139.32 47.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.098 -0.334 . . . . 74.21 110.098 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 28.8 ttt180 -156.66 111.06 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 74.33 109.883 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.413 HG23 HG21 ' A' ' 104' ' ' VAL . 14.4 p -108.04 149.75 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 72.44 110.259 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.4 p -113.23 120.83 42.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 74.2 109.83 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 155.65 46.11 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.015 -0.834 . . . . 41.4 111.015 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -54.04 -60.72 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.145 0.473 . . . . 54.14 110.161 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.76 95.09 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.72 -0.474 . . . . 73.31 109.72 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 51.95 92.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.755 0.66 . . . . 75.34 111.369 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.12 97.05 0.64 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.575 -0.739 . . . . 52.52 113.677 -172.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.65 131.34 34.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 108.371 -0.974 . . . . 73.2 108.371 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.499 ' HB3' HD13 ' A' ' 119' ' ' ILE . 2.3 t80 -109.55 141.73 41.63 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.705 0.288 . . . . 74.42 110.598 -171.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.2 86.47 0.57 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.438 0.637 . . . . 74.22 111.966 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -48.5 -47.2 39.0 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.004 -0.998 . . . . 70.43 111.975 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -64.46 -36.99 85.98 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.451 -0.34 . . . . 63.52 111.307 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.91 -34.4 59.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.603 -0.271 . . . . 73.2 110.736 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.0 m -62.84 -42.11 99.61 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.325 0.583 . . . . 73.23 109.51 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.16 -56.52 19.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.077 -0.965 . . . . 52.34 110.047 175.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -52.92 -51.92 59.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.737 -0.665 . . . . 65.33 111.168 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.18 -59.47 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 63.1 110.877 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.91 93.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.684 -0.689 . . . . 74.43 111.072 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.11 -36.3 82.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 61.14 110.904 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.52 -49.34 49.23 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.345 -0.389 . . . . 73.43 111.318 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.25 -4.4 59.16 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.505 -0.316 . . . . 74.52 111.264 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t 67.94 40.53 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.105 0.562 . . . . 74.53 111.348 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.12 133.68 37.81 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.585 -0.894 . . . . 73.12 108.585 170.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 79' ' ' GLN . 32.1 m -110.9 156.21 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.734 -0.469 . . . . 63.31 109.734 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.63 6.24 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.906 -0.877 . . . . 63.55 110.906 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.434 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -166.96 149.13 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.236 0.518 . . . . 74.34 111.025 179.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -138.92 142.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.46 -0.336 . . . . 72.34 110.463 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -153.01 161.65 42.28 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.726 0.641 . . . . 62.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' HB2' HG21 ' A' ' 119' ' ' ILE . 14.9 t-20 -101.7 150.6 22.96 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.862 -0.422 . . . . 73.4 109.862 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -123.54 148.31 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.83 -0.433 . . . . 74.0 109.83 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.65 -22.45 5.11 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.612 0.57 . . . . 73.5 111.774 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.52 -11.72 46.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.85 -0.614 . . . . 73.01 111.537 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.34 0.02 82.94 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.942 -0.647 . . . . 64.4 111.903 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.7 p -103.35 132.6 49.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 110.137 -0.32 . . . . 74.3 110.137 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 48' ' ' PHE . 29.3 t -92.73 128.46 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.72 -0.845 . . . . 61.55 108.72 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.1 p -133.59 149.27 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.003 0.43 . . . . 50.11 111.905 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.02 -166.32 34.29 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.45 -0.796 . . . . 53.55 111.244 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.56 139.09 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.022 0.411 . . . . 74.14 110.1 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 72.4 t -117.57 141.91 34.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.757 -0.46 . . . . 73.44 109.757 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.525 ' HG3' HG21 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -145.32 149.43 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.156 177.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.93 -156.44 26.68 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 111.447 -0.661 . . . . 73.2 111.447 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.3 Cg_endo -64.68 131.62 30.08 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.453 2.102 . . . . 73.32 111.474 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -52.66 -27.69 18.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.333 -0.394 . . . . 71.14 111.478 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.0 -52.22 57.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.293 -0.412 . . . . 53.44 110.917 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -74.41 -35.47 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.702 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 89' ' ' VAL . 96.9 t -59.01 -44.47 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.472 -0.566 . . . . 73.43 109.472 173.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.84 -42.53 99.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.343 -0.844 . . . . 72.04 109.864 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.0 77.86 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.396 -0.82 . . . . 62.15 110.829 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.63 -34.74 74.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.742 -0.663 . . . . 74.13 109.832 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 85' ' ' VAL . 83.2 t -59.08 -50.74 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.173 -0.467 . . . . 71.34 110.468 174.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.78 -46.32 84.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.287 0.565 . . . . 73.32 109.702 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.27 -41.32 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.927 -1.033 . . . . 72.24 110.679 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -35.35 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 60.14 110.292 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -79.85 -11.36 59.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.671 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -76.73 -47.61 21.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.598 -0.519 . . . . 75.41 109.598 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.12 175.05 45.21 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.466 -0.788 . . . . 31.54 113.189 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 m -85.76 139.92 35.39 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 110.187 -0.301 . . . . 75.45 110.187 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.17 -44.26 50.98 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.223 2.615 . . . . 63.34 113.055 -174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -72.37 -26.38 61.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.815 0.34 . . . . 75.23 111.286 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.6 t -109.3 177.28 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 74.13 111.706 -169.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.56 121.44 50.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.312 -0.858 . . . . 75.45 108.984 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.0 m -71.89 112.41 7.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.496 0.665 . . . . 73.33 110.267 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.48 -45.24 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 64.2 110.565 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -160.18 121.34 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 72.44 110.551 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 HG21 HG23 ' A' ' 40' ' ' VAL . 63.1 t -91.31 139.73 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.885 -0.783 . . . . 63.52 108.885 173.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.6 m -137.08 122.52 19.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 74.04 110.189 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 mm -116.83 145.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.86 -0.793 . . . . 72.12 108.86 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 54.6 t60 -128.89 152.7 48.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.361 0.6 . . . . 72.44 111.422 -175.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.58 0.92 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.878 1.271 . . . . 71.54 114.299 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.1 m -59.18 135.41 57.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.476 0.655 . . . . 75.32 111.998 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.1 p -72.12 178.33 3.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.585 -1.189 . . . . 73.01 112.488 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -54.02 134.48 43.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.438 -0.801 . . . . 70.34 112.01 -174.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.04 175.89 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.489 -0.778 . . . . 64.31 109.715 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -84.61 139.94 31.72 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.711 -0.477 . . . . 74.32 109.711 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.28 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 61.52 110.643 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 26.7 t70 -144.46 -47.84 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.572 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.86 143.83 4.06 Favored Glycine 0 C--O 1.239 0.409 0 C-N-CA 120.824 -0.703 . . . . 52.42 112.955 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -91.57 111.49 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.596 -0.89 . . . . 64.33 108.596 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.31 129.04 3.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.746 0.308 . . . . 71.34 110.505 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 48' ' ' PHE . 41.6 mm -66.96 86.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.446 0.641 . . . . 72.11 110.799 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.548 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 50.6 mtt180 -79.24 144.59 34.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.831 -1.077 . . . . 74.21 110.126 175.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.957 -0.565 . . . . 75.33 109.653 179.236 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.445 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.525 0.202 . . . . 72.33 110.611 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.21 149.84 17.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.833 -0.432 . . . . 63.04 109.833 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -135.24 138.66 43.77 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.322 -0.399 . . . . 73.32 109.964 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -77.84 68.75 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.443 0.64 . . . . 74.33 109.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -61.34 110.11 1.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.086 -0.961 . . . . 72.12 110.881 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -97.3 100.59 12.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.272 -0.876 . . . . 74.41 110.085 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -73.42 125.76 28.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.328 -0.396 . . . . 74.24 110.737 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -159.0 139.83 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 75.44 109.81 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 ptm -119.17 144.1 46.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 63.23 110.724 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.63 107.4 2.8 Favored Glycine 0 C--N 1.329 0.143 0 N-CA-C 111.428 -0.669 . . . . 74.43 111.428 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -68.77 157.84 35.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.097 0.475 . . . . 73.24 111.393 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.07 156.69 46.94 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.135 -0.691 . . . . 73.43 109.135 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.21 -47.53 5.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 62.32 111.274 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.71 -179.34 4.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.479 -0.328 . . . . 75.13 110.805 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.95 -178.77 4.86 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.663 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.613 HG21 ' H ' ' A' ' 18' ' ' GLY . 29.2 m -148.13 140.58 24.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.868 -0.419 . . . . 73.04 109.868 178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -97.56 12.71 32.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.553 0.692 . . . . 71.34 110.373 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.613 ' H ' HG21 ' A' ' 16' ' ' THR . . . 100.74 -177.97 28.32 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 115.456 -0.793 . . . . 71.43 111.964 -176.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.75 -9.14 20.96 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.796 2.33 . . . . 74.15 112.531 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.25 155.98 31.14 Favored Glycine 0 C--N 1.331 0.284 0 CA-C-N 116.141 -0.481 . . . . 74.25 112.524 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -77.72 92.13 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.119 -0.326 . . . . 73.2 110.119 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 ttp -68.47 104.54 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 73.31 110.601 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.76 . . . . 74.11 109.411 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.19 177.62 48.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 71.41 112.506 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -157.4 149.04 22.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.009 -0.738 . . . . 60.0 109.009 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.4 ttp -150.38 137.14 11.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 62.34 111.014 -176.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.75 157.48 60.27 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.945 2.43 . . . . 74.34 111.351 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t -84.66 100.1 11.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.835 0.35 . . . . 70.24 110.205 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 t -81.58 133.53 35.39 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 73.11 109.372 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.5 p -115.22 127.02 55.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.67 -0.241 . . . . 75.4 111.138 -175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -88.72 138.87 31.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.611 -0.515 . . . . 62.5 109.611 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.22 -31.07 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 74.21 109.884 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.8 102.25 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 64.33 109.571 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.7 m -77.12 128.8 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.72 -0.673 . . . . 74.34 110.182 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.427 HG23 ' HG2' ' A' ' 79' ' ' GLN . 93.1 m -124.12 132.11 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.343 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -144.24 134.35 24.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 74.5 109.409 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 50.2 m -87.22 138.51 31.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.953 -0.388 . . . . 71.23 109.953 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.87 144.8 40.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.989 0.423 . . . . 74.21 111.485 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -152.63 110.69 3.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.38 -0.827 . . . . 74.33 109.253 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.85 148.84 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.183 -0.462 . . . . 72.44 109.925 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -110.04 148.9 30.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.324 -0.398 . . . . 74.2 110.462 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.88 130.3 10.18 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.239 -0.505 . . . . 41.4 111.864 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -44.65 79.71 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.198 -0.667 . . . . 54.14 109.198 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.55 145.34 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 73.31 109.498 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.43 80.69 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.994 0.426 . . . . 75.34 110.519 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.55 148.33 19.47 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.065 -0.814 . . . . 52.52 111.065 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.69 148.43 10.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-O 121.203 0.525 . . . . 73.2 111.511 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HB3' HG12 ' A' ' 119' ' ' ILE . 28.3 t80 -79.16 123.46 27.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.712 -0.847 . . . . 74.42 108.712 175.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -58.02 82.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.932 0.715 . . . . 74.22 112.932 -174.64 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HB2' HD12 ' A' ' 119' ' ' ILE . 55.0 ttp180 -58.14 -30.68 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.179 -0.919 . . . . 70.43 111.356 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -52.0 67.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.146 0.498 . . . . 63.52 110.403 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -78.5 -24.26 45.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.2 110.894 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -63.8 -45.9 87.6 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.454 -0.572 . . . . 73.23 109.454 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.63 -50.57 72.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.436 -0.802 . . . . 52.34 110.031 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -52.79 -52.21 57.69 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.233 -0.44 . . . . 65.33 111.08 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.31 -59.99 4.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 63.1 110.736 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.69 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 74.43 111.414 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -73.77 -40.95 63.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.885 0.374 . . . . 61.14 110.64 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.29 71.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.12 -0.491 . . . . 73.43 111.133 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.505 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 61.0 mt -90.85 -10.04 44.15 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.257 -0.429 . . . . 74.52 111.752 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m 68.59 45.82 1.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.257 -0.429 . . . . 74.53 111.762 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.19 133.67 34.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.659 -0.867 . . . . 73.12 108.659 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.3 m -112.6 161.02 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.883 -0.414 . . . . 63.31 109.883 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.93 -132.06 4.38 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.251 -0.74 . . . . 63.55 111.251 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.15 148.21 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.199 0.499 . . . . 74.34 111.057 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -138.94 144.79 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.246 -0.434 . . . . 72.34 110.383 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.601 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -156.2 161.9 40.24 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.813 0.845 . . . . 62.0 109.48 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' CB ' HG21 ' A' ' 119' ' ' ILE . 28.9 t-20 -120.24 159.48 24.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.788 0.327 . . . . 73.4 110.621 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -127.54 162.59 26.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 74.0 110.388 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.54 -26.14 12.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.771 -0.65 . . . . 73.5 112.285 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.37 -3.31 16.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.548 -0.297 . . . . 73.01 111.178 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.47 67.71 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.004 -0.838 . . . . 64.4 111.004 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.6 p -103.52 130.32 50.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.357 -0.421 . . . . 74.3 110.813 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.25 115.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -123.12 153.68 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.386 -0.37 . . . . 50.11 110.967 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.48 -159.67 31.41 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.777 -0.529 . . . . 53.55 111.777 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.5 t -140.58 140.62 33.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.936 -0.394 . . . . 74.14 109.936 178.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.92 142.75 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.36 -0.607 . . . . 73.44 109.36 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.474 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.7 mt-30 -143.51 135.5 26.69 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.458 -0.571 . . . . 75.34 109.458 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.11 -163.7 32.96 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.845 -0.693 . . . . 73.2 112.253 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.2 Cg_endo -66.34 136.17 42.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.37 2.046 . . . . 73.32 110.982 177.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -20.87 35.26 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.714 0.265 . . . . 71.14 111.714 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.88 -51.74 56.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.438 0.637 . . . . 53.44 110.327 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.546 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.6 mp0 -75.24 -30.71 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.248 -0.887 . . . . 73.41 110.853 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.36 -40.11 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.401 -0.592 . . . . 73.43 109.401 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 89' ' ' VAL . 14.0 t70 -59.98 -47.35 86.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.874 173.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.54 -43.26 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.39 -0.823 . . . . 62.15 110.751 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -67.69 -44.95 76.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.461 -0.791 . . . . 74.13 111.063 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' ASP . 9.1 p -64.79 -37.63 80.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.749 0.309 . . . . 71.34 110.333 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.37 -42.59 92.55 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.798 0.332 . . . . 73.32 110.181 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -56.6 -40.75 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 72.24 109.992 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -35.25 76.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.451 -0.795 . . . . 60.14 110.3 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -62.52 -22.46 66.31 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.997 -0.547 . . . . 73.34 111.119 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -73.86 -57.41 4.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.912 0.387 . . . . 75.41 110.121 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.48 33.01 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.864 -0.607 . . . . 31.54 112.68 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.731 ' HB3' ' HB3' ' A' ' 99' ' ' SER . 33.4 t -90.1 141.41 27.85 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 109.57 -0.53 . . . . 75.45 109.57 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.18 -44.83 40.45 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.016 2.477 . . . . 63.34 113.045 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -102.85 5.18 38.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.401 -0.363 . . . . 75.23 111.267 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.731 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.7 t -134.6 81.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.121 -0.696 . . . . 74.13 109.121 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.3 129.89 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.183 -0.917 . . . . 75.45 109.925 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.17 122.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.516 0.674 . . . . 73.33 111.45 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -73.33 -45.56 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.251 -0.886 . . . . 64.2 108.774 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -168.25 137.79 2.47 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.921 -1.036 . . . . 72.44 109.646 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.89 139.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.032 -0.358 . . . . 63.52 110.032 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.3 m -135.72 132.78 37.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.084 -0.339 . . . . 74.04 110.084 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -120.45 151.99 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.677 -0.49 . . . . 72.12 109.677 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 17.2 t60 -130.48 147.62 52.2 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.015 0.436 . . . . 72.44 110.808 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.95 5.51 6.45 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.657 1.355 . . . . 71.54 114.657 -168.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.702 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 61.5 m -59.65 130.21 45.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.429 0.559 . . . . 75.32 112.003 -170.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.2 t -74.29 178.81 4.9 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.286 -0.87 . . . . 73.01 111.487 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -42.79 131.32 4.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.405 -0.816 . . . . 70.34 112.94 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.37 176.31 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.305 -0.861 . . . . 64.31 109.85 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.33 120.89 27.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.338 -0.245 . . . . 74.32 110.338 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.71 155.07 39.05 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.871 0.367 . . . . 61.52 111.387 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.47 -48.6 0.83 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.876 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.16 144.3 3.91 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.995 -0.622 . . . . 52.42 113.048 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -91.44 112.4 24.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.572 -0.529 . . . . 64.33 109.572 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.52 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 9.9 pt-20 -162.86 125.33 2.69 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.972 -0.291 . . . . 71.34 110.95 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 50' ' ' ARG . 1.7 mp -63.76 87.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 72.11 109.838 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.601 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 87.0 mtt180 -84.86 144.67 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.524 -1.216 . . . . 74.21 111.086 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.494 -0.775 . . . . 75.33 109.014 174.647 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.749 0.309 . . . . 72.33 110.185 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.21 159.19 44.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 63.04 110.052 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -141.01 175.71 9.4 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.104 -0.332 . . . . 73.32 110.104 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -71.55 91.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.101 0.476 . . . . 74.33 111.015 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -123.05 88.33 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 72.12 108.989 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -111.21 106.47 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.02 -0.536 . . . . 74.41 109.775 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -76.66 135.1 39.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.503 -0.317 . . . . 74.24 110.289 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -175.56 125.58 0.23 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.631 -0.507 . . . . 75.44 109.631 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.612 0.244 . . . . 63.23 111.097 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.86 99.06 2.08 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 116.188 -0.46 . . . . 74.43 113.253 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -86.61 136.1 33.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.228 -0.286 . . . . 73.24 110.228 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -142.17 173.95 11.05 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.59 0.233 . . . . 73.43 110.732 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.63 167.52 26.83 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.235 -0.439 . . . . 62.32 110.649 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.92 125.56 2.7 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.098 -0.501 . . . . 75.13 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -64.03 153.43 37.37 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.121 0.486 . . . . 73.54 111.856 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 p -95.91 175.93 6.31 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.741 -0.663 . . . . 73.04 110.365 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -112.84 -169.77 1.54 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.223 0.209 . . . . 71.34 111.033 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.78 154.59 21.01 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.98 -0.448 . . . . 71.43 111.98 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.99 -79.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.944 2.429 . . . . 74.15 113.173 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 -144.95 13.26 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.976 -0.63 . . . . 74.25 111.95 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.9 m -157.42 133.3 9.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.485 0.314 . . . . 73.2 110.43 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -119.11 162.0 19.35 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.097 -0.334 . . . . 73.31 110.097 175.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.24 155.12 27.81 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.042 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.79 -135.07 3.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.223 -0.513 . . . . 71.41 112.142 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.7 t -142.46 -168.4 2.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.19 -0.3 . . . . 60.0 110.19 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -135.26 143.33 45.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 62.34 110.481 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.4 167.65 25.3 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.646 2.231 . . . . 74.34 111.864 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -133.76 100.49 4.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.431 -0.35 . . . . 70.24 110.89 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 p -77.16 109.86 11.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.163 0.506 . . . . 73.11 110.162 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -86.22 75.64 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 75.4 110.595 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -86.34 116.54 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 62.5 110.584 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.044 0.45 . . . . 74.21 110.246 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.38 129.65 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.799 -0.637 . . . . 64.33 109.74 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -86.1 110.81 19.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.142 -0.481 . . . . 74.34 109.987 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.458 HG21 ' HG2' ' A' ' 79' ' ' GLN . 85.6 m -119.23 124.43 46.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.76 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 35' ' ' THR . 3.3 mm? -134.29 135.98 43.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.853 -0.795 . . . . 74.5 108.853 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.806 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 36.6 m -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.637 -0.505 . . . . 71.23 109.637 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.64 147.66 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.323 -0.399 . . . . 74.21 111.067 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -157.56 110.78 2.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.419 -0.809 . . . . 74.33 109.346 168.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.39 146.59 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.305 -0.407 . . . . 72.44 109.935 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.1 t -114.15 152.51 31.04 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.301 0.572 . . . . 74.2 110.968 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.85 154.06 20.49 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.08 -0.964 . . . . 41.4 112.419 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 -43.57 9.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.592 -0.892 . . . . 54.14 108.592 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.74 144.6 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.265 -0.88 . . . . 73.31 109.511 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.16 112.65 2.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.04 0.447 . . . . 75.34 110.466 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.48 162.85 35.26 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.764 -0.653 . . . . 52.52 111.565 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.18 166.4 2.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.059 0.456 . . . . 73.2 110.993 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -103.04 126.3 50.16 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.092 -0.707 . . . . 74.42 109.092 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -60.47 80.92 0.01 OUTLIER 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.753 0.649 . . . . 74.22 112.753 -176.281 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.588 ' HB2' HG12 ' A' ' 119' ' ' ILE . 31.5 ttp180 -56.14 -42.63 77.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.422 -0.808 . . . . 70.43 111.032 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.36 -52.09 65.88 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.91 -0.586 . . . . 63.52 111.148 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.38 -32.89 64.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.878 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -64.34 -45.7 86.71 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.035 0.445 . . . . 73.23 110.791 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.41 -40.31 77.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 52.34 109.987 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.38 -44.88 84.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.412 0.625 . . . . 65.33 110.175 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.08 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.084 -0.962 . . . . 63.1 110.001 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.08 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.318 -0.855 . . . . 74.43 111.416 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.82 -45.49 92.19 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.511 . . . . 61.14 110.71 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.12 43.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 73.43 111.494 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.8 -4.0 58.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.343 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 67.88 44.61 1.52 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.981 0.513 . . . . 74.53 112.225 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.57 133.88 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.528 -0.545 . . . . 73.12 109.528 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -111.94 160.73 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.294 -0.632 . . . . 63.31 109.294 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -135.27 6.22 Favored Glycine 0 CA--C 1.507 -0.413 0 N-CA-C 110.482 -1.047 . . . . 63.55 110.482 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.23 158.44 11.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.222 0.511 . . . . 74.34 111.349 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' N ' ' HA ' ' A' ' 117' ' ' PHE . 5.5 t -138.69 148.98 23.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.784 -0.45 . . . . 72.34 109.784 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -154.9 161.68 41.35 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 124.437 1.085 . . . . 62.0 109.781 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.504 ' HB2' HG23 ' A' ' 119' ' ' ILE . 15.2 t-20 -95.51 155.6 16.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.789 0.328 . . . . 73.4 110.786 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -121.14 146.37 46.83 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.741 -0.837 . . . . 74.0 108.741 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.88 -13.43 62.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.291 0.567 . . . . 73.5 109.878 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.69 -10.4 36.16 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.53 -0.759 . . . . 73.01 111.09 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.6 26.33 39.19 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 110.817 -0.913 . . . . 64.4 110.817 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -127.21 146.96 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.24 -0.48 . . . . 74.3 110.475 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.23 121.28 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.35 -0.611 . . . . 61.55 109.35 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -117.95 161.33 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 50.11 110.839 -175.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.23 -165.41 38.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.221 -0.514 . . . . 53.55 111.94 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.537 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 44.2 t -140.62 140.2 34.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.826 -0.435 . . . . 74.14 109.826 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.77 140.39 41.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 109.287 -0.634 . . . . 73.44 109.287 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.458 ' HG2' HG21 ' A' ' 35' ' ' THR . 3.8 mt-30 -141.93 132.16 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.489 -0.56 . . . . 75.34 109.489 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.32 33.9 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.928 -0.469 . . . . 73.2 111.928 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.85 136.24 34.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.697 2.265 . . . . 73.32 110.96 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -22.66 16.26 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.368 0.507 . . . . 71.14 112.368 -172.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.18 -51.25 32.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.145 0.498 . . . . 53.44 110.178 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.63 -33.01 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 73.41 109.998 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.8 t -60.35 -43.44 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.263 -0.643 . . . . 73.43 109.263 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.51 -37.78 87.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.042 -0.526 . . . . 72.04 110.183 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.72 87.86 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.245 0.545 . . . . 62.15 110.135 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -70.74 -36.85 73.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.324 -0.853 . . . . 74.13 110.278 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.9 t -62.18 -47.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.79 -0.448 . . . . 71.34 109.79 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 55.5 tptt -57.45 -44.11 84.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 73.32 109.922 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.725 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 57.4 t80 -61.77 -38.89 89.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.732 -0.667 . . . . 72.24 110.431 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -42.51 85.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 60.14 110.117 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.88 -25.22 67.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.954 -0.566 . . . . 73.34 110.878 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.725 ' HD3' ' HA ' ' A' ' 91' ' ' TYR . 53.8 mtpt -63.46 -46.51 85.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.704 -0.48 . . . . 75.41 109.704 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.03 -179.35 38.92 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.662 -0.699 . . . . 31.54 112.862 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.542 ' HB3' ' HB2' ' A' ' 99' ' ' SER . 41.6 t -72.51 145.94 88.19 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.273 -0.269 . . . . 75.45 110.273 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 18.4 Cg_exo -67.09 -24.18 45.22 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.69 2.26 . . . . 63.34 112.312 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.56 -26.58 7.01 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.203 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 96' ' ' SER . 4.4 m -101.96 99.72 9.93 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.815 -0.439 . . . . 74.13 109.815 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 60.2 t -73.24 134.2 30.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.368 -0.378 . . . . 75.45 109.994 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.55 149.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 73.33 110.776 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.513 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -97.63 -36.84 10.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 64.2 110.267 177.603 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -169.26 138.01 1.99 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.672 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 p -106.67 133.87 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 63.52 109.683 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.4 m -128.92 120.4 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.63 -0.507 . . . . 74.04 109.63 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' A' ' 36' ' ' LEU . 21.6 mm -111.11 154.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.211 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.5 m-70 -126.53 145.81 50.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.919 0.39 . . . . 72.44 110.559 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 5.71 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.342 1.057 . . . . 71.54 113.324 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.806 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 51.4 m -59.95 138.59 57.8 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.179 0.514 . . . . 75.32 112.06 -168.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 p -81.28 178.75 8.2 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.969 -1.014 . . . . 73.01 112.692 -173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -44.21 132.4 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.161 0.985 . . . . 70.34 112.933 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.18 176.06 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.616 -0.72 . . . . 64.31 110.546 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -76.74 123.5 26.27 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.013 -0.366 . . . . 74.32 110.013 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.59 138.91 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 61.52 111.201 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 -52.23 2.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 74.33 110.555 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.03 146.4 4.31 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.023 -0.535 . . . . 52.42 112.412 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.419 ' HA ' ' N ' ' A' ' 66' ' ' VAL . 13.7 m-85 -90.31 112.07 23.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.181 -0.674 . . . . 64.33 109.181 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 10.0 pt-20 -154.52 169.78 22.99 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.587 -0.445 . . . . 71.34 110.844 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.588 HG12 ' HB2' ' A' ' 50' ' ' ARG . 33.6 mm -100.95 86.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.496 0.665 . . . . 72.11 109.906 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.477 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 51.7 mtt85 -80.4 140.72 35.89 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.872 -1.058 . . . . 74.21 109.955 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.785 -0.82 . . . . 75.33 108.785 178.693 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.931 -0.396 . . . . 72.33 109.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.84 135.69 37.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 63.04 110.53 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -97.61 136.78 37.51 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.902 -0.407 . . . . 73.32 109.902 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -87.74 145.44 26.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 74.33 110.346 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -109.75 178.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 72.12 110.637 -173.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -135.87 123.55 22.37 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.041 -0.355 . . . . 74.41 110.041 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -91.54 109.24 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 74.24 110.313 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -72.22 147.48 46.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.711 0.291 . . . . 75.44 110.599 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -153.09 177.06 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 63.23 110.369 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.64 135.35 1.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.747 -0.541 . . . . 74.43 111.747 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 p -72.57 144.47 47.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.823 0.344 . . . . 73.24 111.012 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 13' ' ' GLU . 56.9 tp -86.33 165.32 16.5 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.739 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 11.8 tp10 -129.4 140.78 51.23 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.861 -0.792 . . . . 62.32 108.861 177.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.85 167.71 14.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.418 . . . . 75.13 111.793 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -121.04 167.23 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 73.54 110.228 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.0 p -100.62 166.3 10.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.534 -0.303 . . . . 73.04 111.095 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -83.66 149.25 26.64 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.103 -0.499 . . . . 71.34 110.318 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.69 -178.64 40.9 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 121.264 -0.493 . . . . 71.43 112.631 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.98 -15.17 14.95 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.962 2.441 . . . . 74.15 112.708 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.16 -130.55 9.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.214 -0.517 . . . . 74.25 112.078 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -154.2 146.15 23.55 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.805 0.336 . . . . 73.2 111.044 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -132.84 156.94 46.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.925 -0.58 . . . . 73.31 109.441 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -71.09 179.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 74.11 110.802 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.7 -147.22 4.83 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.216 -0.516 . . . . 71.41 112.387 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.4 p -135.23 168.17 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.745 0.307 . . . . 60.0 110.948 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 88.3 mtp -136.38 129.19 17.62 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.459 -0.571 . . . . 62.34 109.459 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.88 129.85 15.96 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.319 2.012 . . . . 74.34 112.145 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -83.03 82.97 8.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.06 0.457 . . . . 70.24 110.537 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 t -161.86 150.29 15.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.701 -0.681 . . . . 73.11 109.706 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -174.35 162.11 3.53 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.522 -0.548 . . . . 75.4 109.522 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.71 135.68 56.79 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.276 -0.638 . . . . 62.5 109.276 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -69.55 -31.67 70.01 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.092 0.472 . . . . 74.21 110.413 -173.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t -117.19 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.98 -1.119 . . . . 64.33 107.98 167.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.6 m -76.86 124.46 27.76 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.901 -1.045 . . . . 74.34 110.122 -171.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.447 HG21 ' HG2' ' A' ' 79' ' ' GLN . 91.2 m -121.88 126.33 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.75 -0.659 . . . . 74.11 109.863 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -140.7 133.15 28.47 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.26 -0.644 . . . . 74.5 109.26 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 29.9 t -85.29 137.89 32.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.829 -0.434 . . . . 71.23 109.829 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.453 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 5.1 m-85 -111.32 145.64 38.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.845 0.355 . . . . 74.21 110.634 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -154.97 110.81 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 74.33 109.676 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 103' ' ' LYS . 10.6 p -119.05 145.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.73 -0.47 . . . . 72.44 109.73 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 p -107.73 118.9 37.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.368 . . . . 74.2 110.395 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.58 129.59 9.39 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.962 -0.637 . . . . 41.4 111.626 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -82.58 -5.56 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.568 0.699 . . . . 54.14 109.68 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -99.17 -176.14 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 114.943 -1.026 . . . . 73.31 110.471 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.67 37.92 0.18 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.358 0.503 . . . . 75.34 112.358 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.67 26.43 56.5 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.214 -0.517 . . . . 52.52 114.003 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.66 127.6 43.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 117.278 0.539 . . . . 73.2 110.384 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' HD2' HD13 ' A' ' 119' ' ' ILE . 7.6 t80 -134.65 168.55 18.79 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.233 -1.025 . . . . 74.42 108.233 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.651 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . 5.0 p90 -71.56 75.4 0.8 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.783 0.801 . . . . 74.22 112.398 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.607 ' NH1' ' HB2' ' A' ' 118' ' ' GLU . 4.3 tpt180 -59.09 151.84 21.53 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.041 -0.982 . . . . 70.43 108.843 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.2 mttp 71.32 -62.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.855 0.462 . . . . 63.52 110.149 -170.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.651 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . 57.5 m-85 -55.13 -33.93 63.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 73.2 112.007 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.477 ' HG1' ' HD1' ' A' ' 49' ' ' PHE . 10.4 m -55.23 -53.57 54.35 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.445 0.64 . . . . 73.23 110.564 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -71.19 -40.83 70.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.38 -0.827 . . . . 52.34 109.042 -176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 11.8 tmtt? -53.47 -52.0 60.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.725 . . . . 65.33 110.532 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.514 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 54.7 tp10 -65.88 -52.25 51.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.011 -0.54 . . . . 63.1 110.452 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.89 -48.14 78.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 74.43 110.619 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.08 -36.31 83.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 61.14 111.032 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.67 -47.66 58.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.358 -0.383 . . . . 73.43 111.274 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.83 -3.36 56.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.312 -0.404 . . . . 74.52 110.704 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.2 t 68.86 37.98 2.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.836 -0.62 . . . . 74.53 111.539 172.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -87.2 133.52 33.64 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.945 -0.761 . . . . 73.12 108.945 169.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.429 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.5 m -109.47 163.55 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.473 -0.566 . . . . 63.31 109.473 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 -135.18 6.77 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 111.171 -0.772 . . . . 63.55 111.171 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.08 148.95 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.027 0.413 . . . . 74.34 111.294 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 t -138.74 142.01 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.735 -0.469 . . . . 72.34 109.735 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.589 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -148.64 161.73 41.13 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 124.08 0.862 . . . . 62.0 109.659 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.421 ' HB2' HG22 ' A' ' 119' ' ' ILE . 4.3 t-20 -100.63 155.76 17.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.577 -0.527 . . . . 73.4 109.577 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.5 m-80 -119.73 150.54 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.769 -0.826 . . . . 74.0 108.769 176.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.72 -4.08 21.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.324 0.583 . . . . 73.5 110.285 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.97 -7.86 53.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.706 -0.679 . . . . 73.01 110.207 172.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.19 4.63 71.23 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.909 -0.587 . . . . 64.4 111.735 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 p -106.68 135.62 47.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 74.3 110.942 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.3 t -96.42 129.42 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.809 -0.811 . . . . 61.55 108.809 173.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.8 m -137.94 151.41 47.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.049 0.452 . . . . 50.11 111.231 -175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.87 -164.69 32.07 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.639 -0.71 . . . . 53.55 111.373 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 56.5 t -136.94 140.23 43.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.948 -0.39 . . . . 74.14 109.948 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.06 143.45 28.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.643 -0.503 . . . . 73.44 109.643 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.447 ' HG2' HG21 ' A' ' 35' ' ' THR . 3.8 mt-30 -142.91 134.99 27.17 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.484 -0.562 . . . . 75.34 109.484 -178.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.15 -170.85 38.74 Favored Glycine 0 C--O 1.228 -0.22 0 C-N-CA 121.096 -0.573 . . . . 73.2 111.986 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 18.8 Cg_endo -60.66 147.03 96.12 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.309 2.006 . . . . 73.32 111.638 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.5 tmtm? -47.2 -47.81 24.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.11 -0.496 . . . . 71.14 111.482 -176.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.67 -35.54 77.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 53.44 111.831 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.537 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.16 -38.61 60.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.698 0.285 . . . . 73.41 110.659 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.85 -38.02 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.289 -0.634 . . . . 73.43 109.289 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' O ' HG12 ' A' ' 89' ' ' VAL . 4.5 t70 -65.93 -36.88 84.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.095 -0.957 . . . . 72.04 109.236 177.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.76 96.89 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.596 -0.729 . . . . 62.15 110.43 174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -65.98 -45.6 81.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 74.13 110.931 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' HB ' ' OH ' ' A' ' 38' ' ' TYR . 8.6 p -66.73 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 120.983 0.42 . . . . 71.34 110.318 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -63.06 -42.24 99.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 73.32 109.996 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.8 -40.98 88.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.498 -0.773 . . . . 72.24 110.388 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.924 -0.58 . . . . 60.14 110.062 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -64.77 -11.06 32.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.059 -0.519 . . . . 73.34 111.762 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.663 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 3.0 mmmp? -83.23 -19.47 36.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.852 0.358 . . . . 75.41 110.496 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.47 -168.29 51.21 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.111 -0.495 . . . . 31.54 112.665 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.704 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 17.8 m -103.23 145.26 30.26 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 109.962 -0.384 . . . . 75.45 109.962 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.72 -47.02 10.04 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.473 2.782 . . . . 63.34 114.262 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -108.52 10.36 27.23 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.895 0.332 . . . . 75.23 111.895 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.704 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.8 t -115.8 148.62 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.032 0.444 . . . . 74.13 110.96 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.1 109.78 29.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.775 -0.648 . . . . 75.45 109.701 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.4 m -81.25 111.48 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 73.33 110.409 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.69 -54.7 7.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 64.2 109.653 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.773 ' HZ1' ' HB3' ' A' ' 103' ' ' LYS . 8.9 mtpm? -134.4 124.97 26.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.667 -0.697 . . . . 72.44 110.47 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.1 p -105.78 109.04 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.513 -0.921 . . . . 63.52 108.513 170.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -122.09 130.94 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.138 -169.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.3 mm -114.09 152.35 15.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.243 -0.651 . . . . 72.12 109.243 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.4 t60 -131.95 147.31 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.094 0.473 . . . . 72.44 110.814 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.17 6.54 0.94 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.803 1.409 . . . . 71.54 114.803 -171.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.9 m -59.5 130.11 45.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.194 0.521 . . . . 75.32 111.276 -169.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 p -78.26 178.41 7.66 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.16 -0.927 . . . . 73.01 111.956 -173.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -48.13 139.15 8.61 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.022 0.749 . . . . 70.34 113.022 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.42 176.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.023 -0.989 . . . . 64.31 109.71 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -85.31 139.2 31.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.835 -0.432 . . . . 74.32 109.835 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.3 159.55 28.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 61.52 111.592 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -138.4 -45.76 0.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.105 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.4 139.58 3.12 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.843 -0.694 . . . . 52.42 112.913 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.39 112.17 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.924 -0.399 . . . . 64.33 109.924 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HB2' ' NH1' ' A' ' 50' ' ' ARG . 10.6 pt-20 -162.7 136.22 6.05 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.558 -0.457 . . . . 71.34 111.211 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.478 HD13 ' HD2' ' A' ' 48' ' ' PHE . 30.8 mm -70.44 86.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.621 0.724 . . . . 72.11 109.657 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.589 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 59.9 mtt180 -73.78 123.66 24.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.9 -1.046 . . . . 74.21 111.469 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 C--O 1.252 1.197 0 CA-C-N 114.424 -1.262 . . . . 75.33 108.862 -177.205 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.49 121.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.899 0.75 . . . . 63.04 111.249 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -92.04 32.76 1.11 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.757 -0.656 . . . . 73.32 109.649 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -54.94 144.64 22.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.394 -0.821 . . . . 74.33 110.72 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -147.1 143.7 28.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.459 -0.337 . . . . 72.12 110.974 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -140.93 159.54 42.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.942 -0.572 . . . . 74.41 109.907 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -172.06 162.47 5.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.781 0.324 . . . . 74.24 110.21 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -167.96 157.27 9.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 75.44 109.705 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -140.84 96.82 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.635 -0.505 . . . . 63.23 109.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.14 99.91 0.36 Allowed Glycine 0 C--N 1.329 0.174 0 CA-C-N 116.082 -0.508 . . . . 74.43 111.872 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.18 159.02 32.54 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.547 0.339 . . . . 73.24 110.851 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 tp -176.31 145.93 0.62 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.593 -0.731 . . . . 73.43 110.693 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -152.51 117.5 5.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.472 -0.936 . . . . 62.32 108.472 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.34 -172.87 3.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.659 0.266 . . . . 75.13 111.459 -169.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -108.15 162.15 14.32 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.326 -0.397 . . . . 73.54 111.246 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.5 m -141.19 92.81 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.345 -0.613 . . . . 73.04 109.345 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -104.77 143.07 33.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.943 -0.571 . . . . 71.34 110.361 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.25 128.34 2.53 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.26 -0.495 . . . . 71.43 111.901 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -91.31 -155.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.032 2.488 . . . . 74.15 111.161 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.48 -156.87 28.67 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.927 -0.654 . . . . 74.25 112.397 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -142.73 107.19 4.79 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.025 -0.361 . . . . 73.2 110.025 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 95.9 mmm -101.96 87.87 3.21 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.806 -0.442 . . . . 73.31 109.806 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -89.73 81.5 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 74.11 109.998 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.67 178.9 53.21 Favored Glycine 0 C--O 1.236 0.273 0 CA-C-N 115.607 -0.724 . . . . 71.41 112.732 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -92.92 150.53 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 122.433 0.293 . . . . 60.0 110.229 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 80.9 mtp -104.78 117.7 58.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.499 -0.319 . . . . 62.34 110.918 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -82.3 165.49 16.61 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.817 2.345 . . . . 74.34 111.721 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -69.76 149.1 48.33 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.247 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -87.85 127.79 35.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.54 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -84.17 90.01 7.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 75.4 110.772 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.86 106.91 18.32 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.471 -0.566 . . . . 62.5 109.471 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.33 -31.75 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 74.21 110.985 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.99 135.17 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 64.33 110.702 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -95.39 142.38 27.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.545 -0.539 . . . . 74.34 109.545 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.501 HG23 ' HG2' ' A' ' 79' ' ' GLN . 62.3 m -148.98 132.27 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.657 0.265 . . . . 74.11 110.868 -177.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -146.28 142.63 28.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.294 -0.632 . . . . 74.5 109.294 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 34.9 m -85.39 137.71 32.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.451 -0.341 . . . . 71.23 110.179 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.83 139.64 47.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.289 -0.414 . . . . 74.21 110.144 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -147.26 123.3 10.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 74.33 109.823 175.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' HB ' HD11 ' A' ' 92' ' ' LEU . 13.5 p -136.46 150.64 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.562 -0.29 . . . . 72.44 110.884 -174.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 p -98.8 117.37 33.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.613 0.244 . . . . 74.2 111.2 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.3 162.72 32.34 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 111.021 -0.832 . . . . 41.4 111.021 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -143.24 -78.89 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.754 0.777 . . . . 54.14 111.946 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -100.51 149.18 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 73.31 109.952 -176.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.655 ' HB3' ' HA ' ' A' ' 99' ' ' SER . 7.5 tp-100 64.57 73.08 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.862 0.726 . . . . 75.34 109.677 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.86 -135.58 37.94 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.525 -0.761 . . . . 52.52 111.693 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.3 m -140.43 -35.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 73.2 110.126 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.469 ' HB2' HG21 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -169.04 125.04 0.91 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.855 -0.611 . . . . 74.42 109.465 -179.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -83.83 109.41 17.53 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.18 0.514 . . . . 74.22 111.633 -177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -52.91 -27.02 16.8 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.043 -0.98 . . . . 70.43 110.847 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.43 -63.01 1.42 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.433 -0.348 . . . . 63.52 110.962 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -63.66 -36.95 85.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.101 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 m -61.23 -41.77 97.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.22 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.62 -45.99 87.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.411 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.7 -51.16 69.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.275 -0.42 . . . . 65.33 111.097 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.87 -54.76 42.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.285 0.564 . . . . 63.1 110.244 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.5 90.9 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.63 -0.714 . . . . 74.43 111.735 -175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.5 -43.98 53.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 61.14 110.684 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.01 85.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 73.43 111.142 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 -12.54 31.13 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.9 0.381 . . . . 74.52 110.982 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 m 65.83 61.57 0.65 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.236 -0.438 . . . . 74.53 111.434 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 140.9 30.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.322 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.2 m -112.41 151.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.93 -0.767 . . . . 63.31 108.93 173.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.47 -138.94 6.82 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.991 -0.843 . . . . 63.55 110.991 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 148.02 5.67 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 117.429 0.615 . . . . 74.34 111.423 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -139.04 144.9 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.501 -0.318 . . . . 72.34 110.724 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.546 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -153.71 161.86 41.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.091 0.956 . . . . 62.0 109.229 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.638 ' HB2' HG22 ' A' ' 119' ' ' ILE . 29.1 t-20 -102.4 153.85 19.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.849 -0.426 . . . . 73.4 109.849 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -118.53 158.69 24.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.771 -0.455 . . . . 74.0 109.771 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.24 -24.87 60.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.951 0.405 . . . . 73.5 111.257 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -68.02 -7.53 29.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.191 -0.459 . . . . 73.01 111.468 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.11 3.29 76.29 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.424 -0.671 . . . . 64.4 111.424 -175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -91.79 129.12 37.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.596 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 48' ' ' PHE . 35.9 t -92.69 114.88 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.687 -0.857 . . . . 61.55 108.687 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 m -122.02 157.33 31.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.549 -0.296 . . . . 50.11 110.653 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.95 -161.72 33.0 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.265 -0.493 . . . . 53.55 112.477 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.537 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 62.1 t -139.98 135.42 37.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 122.867 0.467 . . . . 74.14 110.392 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.11 134.46 53.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 123.717 0.636 . . . . 73.44 109.685 173.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.501 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.3 mt-30 -136.29 153.53 51.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.229 -0.442 . . . . 75.34 109.992 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.91 -159.12 25.42 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.842 -0.503 . . . . 73.2 111.842 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 134.6 33.84 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.246 1.964 . . . . 73.32 110.758 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -56.74 -20.7 23.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.154 0.427 . . . . 71.14 112.154 -173.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 32.7 mt-10 -67.28 -51.72 49.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.78 0.8 . . . . 53.44 109.899 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.89 -29.68 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.293 -0.867 . . . . 73.41 110.445 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.88 -41.44 90.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.039 -0.726 . . . . 73.43 109.039 170.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.481 ' HA ' HG11 ' A' ' 89' ' ' VAL . 19.6 t70 -64.38 -35.36 80.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.973 -0.558 . . . . 72.04 110.604 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.561 ' O ' ' HB3' ' A' ' 90' ' ' LYS . . . -63.72 -41.47 98.06 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.099 0.476 . . . . 62.15 110.827 175.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -68.13 -42.5 80.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 74.13 110.428 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 86' ' ' ASP . 9.7 p -64.27 -34.59 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 110.013 -0.365 . . . . 71.34 110.013 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 87' ' ' ALA . 13.8 ttpp -53.35 -53.34 52.57 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.105 -0.702 . . . . 73.32 109.105 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.0 t80 -59.47 -39.87 85.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.519 -0.764 . . . . 72.24 110.81 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.464 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -65.19 -41.25 94.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.68 0.276 . . . . 60.14 110.393 -176.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -61.93 -31.3 71.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.013 0.435 . . . . 73.34 110.539 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.05 -23.27 26.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.704 . . . . 75.41 110.269 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' TYR . . . 56.57 -159.7 8.56 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.038 -0.825 . . . . 31.54 111.038 -171.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 98' ' ' LYS . 53.3 m -74.91 118.05 67.41 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 107.857 -1.164 . . . . 75.45 107.857 168.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 9.69 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.881 0 C-N-CA 123.204 2.603 . . . . 63.34 114.44 -168.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 96' ' ' SER . 21.3 tptm -118.95 -22.69 7.18 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.062 0.458 . . . . 75.23 109.988 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.655 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 22.7 t -92.02 -179.1 5.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.928 -0.578 . . . . 74.13 110.48 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.87 105.07 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 110.143 -0.317 . . . . 75.45 110.143 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.38 119.68 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.393 -0.595 . . . . 73.33 109.393 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -87.97 -41.42 13.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 64.2 111.874 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.788 ' HZ1' ' HB3' ' A' ' 103' ' ' LYS . 6.9 ttpm? -147.99 135.43 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.602 0.239 . . . . 72.44 111.267 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.86 142.4 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.451 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.0 m -138.18 139.15 39.21 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.46 -0.57 . . . . 74.04 109.46 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.1 mm -126.48 148.67 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.074 -0.343 . . . . 72.12 110.074 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 10.1 t-80 -128.36 143.12 50.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.846 0.355 . . . . 72.44 110.619 -176.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.58 6.28 3.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -170.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.607 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 67.8 m -59.84 138.86 57.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.422 0.629 . . . . 75.32 112.367 -167.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.3 m -71.37 178.38 3.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.647 -1.16 . . . . 73.01 112.548 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -59.23 136.3 57.91 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.159 -0.928 . . . . 70.34 112.24 -174.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.84 175.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.58 -0.736 . . . . 64.31 110.015 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.19 126.84 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.995 -0.372 . . . . 74.32 109.995 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.97 147.93 50.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.228 -0.442 . . . . 61.52 111.724 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.541 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 8.7 t70 -121.31 -43.34 2.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.937 -0.574 . . . . 74.33 110.703 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.49 141.43 4.08 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.261 -0.495 . . . . 52.42 112.657 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.08 111.93 23.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.452 -0.573 . . . . 64.33 109.452 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.7 pt-20 -162.72 127.33 3.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 71.34 110.474 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 68' ' ' ASN . 1.8 mp -66.76 86.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.618 0.723 . . . . 72.11 110.022 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.546 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.9 mtt180 -81.38 144.33 31.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.737 -1.12 . . . . 74.21 110.8 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.71 -0.662 . . . . 75.33 109.337 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.146 -0.316 . . . . 72.33 110.146 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.67 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 63.04 110.224 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -157.35 102.04 1.9 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.81 0.338 . . . . 73.32 110.394 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -146.86 151.71 37.53 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.094 0.557 . . . . 74.33 110.142 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -139.67 94.45 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 72.12 110.37 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -100.0 124.11 44.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.681 -0.489 . . . . 74.41 109.681 175.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -122.11 127.21 49.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.096 -0.335 . . . . 74.24 110.096 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -164.78 141.84 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.207 -0.664 . . . . 75.44 109.207 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.9 ptp -74.51 156.46 36.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 63.23 110.744 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.85 35.99 2.63 Favored Glycine 0 N--CA 1.453 -0.181 0 N-CA-C 111.107 -0.797 . . . . 74.43 111.107 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -66.84 156.46 35.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.33 -0.435 . . . . 73.24 111.229 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -150.25 105.27 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.678 -0.86 . . . . 73.43 108.678 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.51 145.57 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.383 -0.372 . . . . 62.32 110.172 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.36 108.41 16.03 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.304 -0.407 . . . . 75.13 110.622 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -113.14 126.76 55.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 73.54 110.191 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -138.78 159.24 42.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.494 -0.321 . . . . 73.04 110.304 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -167.17 138.9 3.25 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 71.34 109.611 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.77 155.0 49.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.002 -0.618 . . . . 71.43 111.912 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.7 43.57 1.53 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.078 2.519 . . . . 74.15 111.605 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.34 -68.28 3.17 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.111 -0.796 . . . . 74.25 111.111 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.2 m -152.59 142.24 21.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 73.2 109.791 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 22' ' ' MET . 4.1 ppp? -70.81 153.25 42.91 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.472 -0.566 . . . . 73.31 109.472 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.0 132.9 45.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.909 0.385 . . . . 74.11 110.88 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.24 57.09 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.607 -0.597 . . . . 71.41 111.607 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 p -89.08 149.26 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.645 0.26 . . . . 60.0 110.473 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.6 ptp -99.15 117.53 63.99 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.41 -0.359 . . . . 62.34 110.315 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.19 179.25 6.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.645 2.23 . . . . 74.34 112.182 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -140.38 93.99 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.017 0.436 . . . . 70.24 110.14 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -159.81 137.82 10.14 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.246 -0.649 . . . . 73.11 109.246 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -107.77 142.6 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.108 -0.331 . . . . 75.4 110.108 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -79.22 -170.09 2.12 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.257 -0.429 . . . . 62.5 111.017 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.03 -31.18 68.69 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.469 -0.332 . . . . 74.21 111.051 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p -137.81 138.58 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.136 -0.484 . . . . 64.33 110.225 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.4 m -94.58 146.27 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.782 -0.451 . . . . 74.34 109.782 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' A' ' 79' ' ' GLN . 76.2 m -147.29 134.74 20.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.275 -0.268 . . . . 74.11 110.275 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.46 142.9 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.348 -0.612 . . . . 74.5 109.348 172.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.539 ' SG ' HG21 ' A' ' 77' ' ' VAL . 63.6 m -89.07 143.1 27.09 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.93 -0.396 . . . . 71.23 109.93 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.442 ' HH ' HG23 ' A' ' 89' ' ' VAL . 1.3 m-85 -111.73 139.24 47.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.769 -0.456 . . . . 74.21 109.769 -178.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -146.82 111.27 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 74.33 108.819 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.11 145.62 32.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.481 0.658 . . . . 72.44 111.001 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.406 HG22 ' HB3' ' A' ' 73' ' ' SER . 36.8 p -118.66 132.81 56.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.067 -1.086 . . . . 74.2 108.067 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . -166.14 160.34 33.83 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 119.962 -1.113 . . . . 41.4 113.293 -176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -71.2 88.55 0.83 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.201 -0.666 . . . . 54.14 109.201 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 10.2 p -81.75 140.42 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.617 -0.719 . . . . 73.31 111.028 -175.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -113.29 96.2 5.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.048 -0.723 . . . . 75.34 109.048 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.19 -88.64 1.28 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.345 -0.702 . . . . 52.52 111.345 -174.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.44 162.08 39.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 110.27 -0.27 . . . . 73.2 110.27 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -70.56 78.98 0.58 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.93 -0.396 . . . . 74.42 109.93 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.419 ' HE2' ' HB2' ' A' ' 99' ' ' SER . 3.7 p90 4.07 76.96 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.204 1.402 . . . . 74.22 114.372 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 119' ' ' ILE . 64.9 ttt180 -65.55 -19.49 65.94 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.99 -0.55 . . . . 70.43 109.902 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.87 -59.38 5.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.902 -0.59 . . . . 63.52 110.013 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -72.7 -38.07 67.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.67 -0.695 . . . . 73.2 110.887 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.2 m -58.12 -46.73 85.08 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.016 0.436 . . . . 73.23 110.583 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -65.06 -47.14 78.36 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.906 -0.588 . . . . 52.34 110.14 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -52.47 -51.53 58.88 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.304 0.377 . . . . 65.33 110.49 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.38 -57.41 12.89 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.657 -0.702 . . . . 63.1 110.782 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.75 96.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.685 -0.689 . . . . 74.43 111.562 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.96 -36.19 81.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 61.14 111.018 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.96 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.482 -0.326 . . . . 73.43 111.321 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 78.0 mt -89.27 -8.04 54.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.939 0.348 . . . . 74.52 111.939 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m 67.79 58.81 0.48 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.096 0.558 . . . . 74.53 111.558 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.16 133.93 35.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.903 -0.589 . . . . 73.12 109.501 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.509 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -110.72 152.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.112 -0.329 . . . . 63.31 110.112 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.7 -134.77 4.88 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.238 -0.745 . . . . 63.55 111.238 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.405 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.08 149.56 6.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.168 0.484 . . . . 74.34 110.822 177.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.75 141.96 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 123.179 0.299 . . . . 72.34 110.344 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.67 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 8.8 t -152.25 162.09 41.65 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.849 0.718 . . . . 62.0 109.932 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HB2' HG23 ' A' ' 119' ' ' ILE . 6.4 t30 -110.41 142.33 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 73.4 110.26 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -102.26 149.2 24.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.067 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.9 -24.21 62.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.216 0.531 . . . . 73.5 110.744 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.67 -4.11 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.348 -0.842 . . . . 73.01 111.748 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.86 45.59 7.12 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.072 -0.585 . . . . 64.4 112.017 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' HG22 ' A' ' 41' ' ' THR . 31.8 p -152.55 142.26 21.91 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 110.131 -0.322 . . . . 74.3 110.131 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.34 133.02 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.969 -0.382 . . . . 61.55 109.969 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -135.36 160.39 38.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 50.11 110.683 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.75 -165.78 38.26 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.205 -0.758 . . . . 53.55 111.205 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.539 HG21 ' SG ' ' A' ' 37' ' ' CYS . 34.8 t -140.69 138.53 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 117.057 0.428 . . . . 74.14 110.19 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.426 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 73.6 t -116.71 140.58 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.584 -0.525 . . . . 73.44 109.584 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 75.34 109.964 177.696 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.07 -152.36 22.24 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.016 -0.833 . . . . 73.2 111.016 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 31.1 Cg_endo -65.71 127.37 17.77 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.465 2.11 . . . . 73.32 111.502 176.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.56 -30.77 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.98 0.733 . . . . 71.14 112.98 -176.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 8.1 pt-20 -70.25 -45.9 65.52 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.616 0.246 . . . . 53.44 111.355 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.561 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.401 0.143 . . . . 73.41 110.83 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 89' ' ' VAL . 62.4 t -58.54 -45.48 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.322 -0.622 . . . . 73.43 109.322 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' CG ' ' HZ1' ' A' ' 90' ' ' LYS . 30.9 t70 -60.38 -39.96 89.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 72.04 110.318 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.629 -0.714 . . . . 62.15 110.752 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.51 -35.81 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 74.13 109.83 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 85' ' ' VAL . 92.7 t -60.45 -47.32 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.093 -0.503 . . . . 71.34 109.961 173.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HZ1' ' CG ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -55.53 -47.03 76.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.827 -0.624 . . . . 73.32 109.724 178.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -60.35 -43.53 96.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.146 -0.934 . . . . 72.24 110.853 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 60.14 110.387 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -64.15 -35.06 79.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.225 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -85.98 -37.28 19.17 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 75.41 110.983 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.74 -128.44 26.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.301 -0.72 . . . . 31.54 111.301 -172.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.3 m -155.63 154.34 27.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.511 -0.552 . . . . 75.45 109.511 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -59.55 -11.85 15.43 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.034 2.489 . . . . 63.34 113.037 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -75.94 -26.16 56.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.625 -0.261 . . . . 75.23 111.105 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 50.0 m -150.37 137.03 19.04 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.833 0.349 . . . . 74.13 110.65 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.4 t -92.49 99.78 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 75.45 111.22 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 29.8 m -67.27 140.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 73.33 110.247 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.77 -57.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.385 . . . . 64.2 111.302 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -143.41 131.25 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.29 -0.413 . . . . 72.44 110.489 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.17 142.39 24.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.351 -0.386 . . . . 63.52 110.282 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.3 m -138.02 130.84 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.311 -0.626 . . . . 74.04 109.311 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.4 mm -116.78 157.18 17.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 109.986 -0.375 . . . . 72.12 109.986 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 85.5 t60 -133.2 144.51 49.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 121.226 0.536 . . . . 72.44 111.057 -177.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 7.62 0.94 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 116.082 1.882 . . . . 71.54 116.082 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.501 ' OG ' ' SG ' ' A' ' 37' ' ' CYS . 66.1 p -58.12 141.5 50.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.9 0.773 . . . . 75.32 113.031 -158.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m -70.99 178.36 3.24 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.2 -0.909 . . . . 73.01 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -50.93 131.09 26.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.953 -0.567 . . . . 70.34 112.523 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.05 176.16 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.494 -0.776 . . . . 64.31 109.621 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -98.16 116.06 29.6 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.961 -0.385 . . . . 74.32 109.961 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.98 145.15 42.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.15 -0.477 . . . . 61.52 111.602 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.17 -47.71 1.75 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.073 -0.512 . . . . 74.33 110.96 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.96 148.65 4.84 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.663 -0.78 . . . . 52.42 113.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -95.42 112.13 23.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.239 -0.652 . . . . 64.33 109.239 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -162.67 126.2 2.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 71.34 110.369 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -70.4 86.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.776 0.798 . . . . 72.11 109.476 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.67 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.0 mtt180 -77.44 144.53 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.47 -1.241 . . . . 74.21 110.522 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.367 -0.825 . . . . 75.33 110.422 -177.423 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.803 0.335 . . . . 72.33 110.227 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.28 27.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.179 -0.464 . . . . 63.04 110.044 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -157.42 137.74 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 73.32 110.823 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -87.32 176.83 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.135 -0.691 . . . . 74.33 109.135 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -150.65 138.98 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 72.12 110.775 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -95.81 173.07 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.047 -0.723 . . . . 74.41 109.047 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -150.42 116.1 5.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.045 0.45 . . . . 74.24 110.597 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -96.82 127.52 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 75.44 110.096 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.471 ' N ' ' SD ' ' A' ' 9' ' ' MET . 1.5 pmm? -108.14 126.91 53.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.443 -0.577 . . . . 63.23 109.443 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.1 102.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.336 -0.935 . . . . 74.43 112.921 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 11.3 p -136.65 110.01 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.846 -0.427 . . . . 73.24 109.846 171.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER 169.06 87.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.209 -1.034 . . . . 73.43 108.209 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.54 -176.7 4.05 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.977 0.417 . . . . 62.32 111.135 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.59 151.02 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 75.13 111.992 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -113.21 133.96 54.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.641 -0.874 . . . . 73.54 108.641 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.2 m -130.69 132.45 45.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.937 0.399 . . . . 73.04 111.603 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -146.59 128.91 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.664 -0.698 . . . . 71.34 109.262 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.49 169.23 54.25 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.117 -0.563 . . . . 71.43 112.288 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.79 2.98 5.34 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.995 2.463 . . . . 74.15 112.534 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 168.18 27.71 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.118 -0.492 . . . . 74.25 112.511 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -110.38 -174.26 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.601 0.36 . . . . 73.2 110.403 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.9 ttt -130.72 133.16 45.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.59 -0.277 . . . . 73.31 110.344 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.23 152.54 44.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 74.11 110.366 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.78 105.44 0.18 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.831 -0.7 . . . . 71.41 112.428 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -130.69 161.95 30.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.558 -0.534 . . . . 60.0 109.558 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.5 mtt -145.12 119.52 5.64 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.812 -0.177 . . . . 62.34 110.665 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -87.77 109.07 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.153 2.569 . . . . 74.34 111.272 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 p -102.61 -179.41 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.33 -0.395 . . . . 70.24 110.7 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.0 m -69.75 137.26 51.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.11 110.428 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.493 ' H ' ' HG2' ' A' ' 82' ' ' LYS . 24.8 m -97.72 -151.05 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 75.4 109.49 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.55 178.72 1.93 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 121.037 -0.265 . . . . 62.5 110.433 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.71 -31.75 69.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 74.21 110.876 -174.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.416 HG22 ' NH2' ' A' ' 111' ' ' ARG . 39.8 t -131.17 97.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.422 0.63 . . . . 64.33 110.188 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 m -84.34 127.0 33.72 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.746 -1.116 . . . . 74.34 109.601 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -121.65 129.51 52.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.145 -0.317 . . . . 74.11 110.145 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.19 139.05 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.535 . . . . 74.5 109.674 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.495 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 51.1 t -90.91 135.42 33.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.051 -0.722 . . . . 71.23 109.051 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -111.94 146.43 37.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.298 . . . . 74.21 110.995 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -156.35 116.9 3.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 74.33 109.79 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' A' ' 92' ' ' LEU . 12.6 p -123.89 145.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.32 . . . . 72.44 110.387 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.613 HG21 ' HB3' ' A' ' 102' ' ' LYS . 7.9 t -116.84 165.24 13.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.475 -0.565 . . . . 74.2 109.475 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.25 166.51 17.94 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.651 -0.785 . . . . 41.4 113.703 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HD2' HG21 ' A' ' 44' ' ' VAL . 1.3 tmtp? -87.87 -50.73 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.588 -0.893 . . . . 54.14 108.588 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG21 ' HD2' ' A' ' 43' ' ' LYS . 54.5 t -122.67 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.175 -0.676 . . . . 73.31 109.175 174.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 59.14 88.92 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 75.34 110.911 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.97 74.62 0.48 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.968 -0.56 . . . . 52.52 112.162 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.41 135.49 61.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.809 0.337 . . . . 73.2 110.167 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' A' ' 119' ' ' ILE . 6.3 m-30 -87.14 159.98 18.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 74.42 110.44 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.698 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 23.6 t80 -73.57 115.72 13.31 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-O 121.134 0.492 . . . . 74.22 110.445 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.8 tpt180 -65.97 75.25 0.08 Allowed 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.495 -1.23 . . . . 70.43 110.991 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.0 tttm 160.11 -50.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 124.763 1.225 . . . . 63.52 107.98 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.698 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 11.2 m-30 -62.04 -38.06 87.29 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.998 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' A' ' 48' ' ' PHE . 36.6 m -59.91 -53.52 56.89 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.608 -0.437 . . . . 73.23 111.048 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -60.75 -49.61 76.81 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.955 -0.566 . . . . 52.34 109.76 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -57.74 -43.51 85.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.048 -0.524 . . . . 65.33 110.407 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.59 -55.27 36.63 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.128 0.489 . . . . 63.1 110.067 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -55.75 -47.65 76.61 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.263 -0.88 . . . . 74.43 110.684 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.48 -43.07 99.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 61.14 110.856 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.64 75.2 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.813 -0.631 . . . . 73.43 111.502 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD11 ' HG3' ' A' ' 84' ' ' GLN . 4.2 mm? -85.76 -7.23 58.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.508 -0.315 . . . . 74.52 110.726 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 68.03 47.05 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.362 0.601 . . . . 74.53 111.704 174.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.497 ' HB3' HG11 ' A' ' 78' ' ' VAL . 1.8 mm? -84.55 133.72 34.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.764 -0.653 . . . . 73.12 109.431 173.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 18.5 m -104.07 153.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.677 . . . . 63.31 109.171 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.24 -132.19 5.05 Favored Glycine 0 CA--C 1.511 -0.167 0 N-CA-C 111.342 -0.703 . . . . 63.55 111.342 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.12 150.46 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.132 0.466 . . . . 74.34 111.112 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.7 t -138.97 141.9 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 116.564 -0.289 . . . . 72.34 110.87 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.558 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -152.39 161.91 41.93 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.106 0.879 . . . . 62.0 110.356 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.496 ' HB3' ' HG2' ' A' ' 121' ' ' ARG . 3.9 t-20 -96.54 155.57 16.71 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.088 -0.338 . . . . 73.4 110.088 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.503 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 0.8 OUTLIER -114.94 163.22 15.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.553 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.51 -47.15 63.4 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.873 0.733 . . . . 73.5 112.114 -175.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.01 -17.56 64.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.134 -0.485 . . . . 73.01 111.505 -175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.87 2.18 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.891 -1.283 . . . . 64.4 109.891 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.503 ' HB3' ' HB2' ' A' ' 69' ' ' ASN . 46.7 t -123.41 126.54 46.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.062 -0.569 . . . . 74.3 109.7 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.75 114.89 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.472 -0.566 . . . . 61.55 109.472 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.6 p -121.94 166.86 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.294 -0.412 . . . . 50.11 110.502 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.02 -162.31 35.84 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.141 -0.552 . . . . 53.55 111.978 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -138.18 136.71 44.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 109.735 -0.469 . . . . 74.14 109.735 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.497 HG11 ' HB3' ' A' ' 62' ' ' LEU . 58.1 t -120.89 133.41 67.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 O-C-N 123.621 0.575 . . . . 73.44 109.462 176.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -134.37 137.56 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.585 -0.524 . . . . 75.34 109.585 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -163.74 30.2 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.588 -0.605 . . . . 73.2 111.588 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.443 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 29.2 Cg_endo -62.41 130.75 31.22 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.148 1.899 . . . . 73.32 110.879 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.493 ' HG2' ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -58.65 -19.85 42.78 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 117.032 -0.076 . . . . 71.14 111.174 -172.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.58 -52.25 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.328 0.585 . . . . 53.44 110.177 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.5 mp0 -74.87 -32.17 61.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.479 -0.782 . . . . 73.41 110.519 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 89' ' ' VAL . 94.3 t -61.65 -44.65 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.168 -0.679 . . . . 73.43 109.168 172.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 25.5 t0 -66.75 -31.1 71.53 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.912 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.68 91.9 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.47 0.652 . . . . 62.15 110.044 172.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.95 -34.49 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.428 -0.805 . . . . 74.13 109.438 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 85' ' ' VAL . 72.3 t -61.65 -40.75 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.113 -0.494 . . . . 71.34 110.586 174.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 55.2 mmtt -60.6 -49.54 77.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.966 -0.753 . . . . 73.32 108.966 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -58.6 -34.84 71.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.21 -0.904 . . . . 72.24 110.614 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.499 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -71.17 -40.93 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.293 -0.412 . . . . 60.14 110.139 -177.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -67.61 -30.26 69.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.121 -0.49 . . . . 73.34 110.796 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -85.58 -29.03 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 75.41 110.136 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.64 -152.35 31.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.556 -0.747 . . . . 31.54 111.938 -175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.9 m -93.21 120.7 66.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.804 -0.813 . . . . 75.45 108.804 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.3 -14.56 20.44 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.998 2.465 . . . . 63.34 113.373 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -75.13 -26.35 59.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.893 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.3 m -111.5 172.3 6.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.817 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.07 112.78 41.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.433 -0.58 . . . . 75.45 109.433 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.9 m -74.47 138.71 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 73.33 110.75 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.613 ' HB3' HG21 ' A' ' 41' ' ' THR . 54.3 tptt -89.43 -57.7 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.356 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -155.49 141.35 18.13 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.585 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.84 142.29 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 63.52 109.918 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -137.76 126.06 23.21 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.725 -0.472 . . . . 74.04 109.725 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.7 mm -116.51 154.06 18.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.655 -0.498 . . . . 72.12 109.655 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.495 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.1 t60 -133.81 147.22 51.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 72.44 110.682 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.47 0.94 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.4 m -59.99 129.93 44.23 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.36 0.6 . . . . 75.32 111.686 -167.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 m -78.06 178.4 7.55 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.116 -0.947 . . . . 73.01 111.836 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.416 ' NH2' HG22 ' A' ' 33' ' ' VAL . 25.6 ttm180 -42.62 129.13 4.12 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.015 0.822 . . . . 70.34 112.46 -176.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.21 175.99 8.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.189 -0.914 . . . . 64.31 109.79 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.31 121.01 22.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 74.32 110.465 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.49 40.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.134 -0.484 . . . . 61.52 111.475 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.75 -48.19 0.81 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.454 -0.339 . . . . 74.33 111.018 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.98 146.65 4.38 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.909 -0.662 . . . . 52.42 112.919 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.73 112.26 24.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.836 -0.431 . . . . 64.33 109.836 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.525 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.0 pt-20 -162.61 131.56 4.17 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.047 0.451 . . . . 71.34 110.208 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 21.9 mm -68.03 86.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.382 0.61 . . . . 72.11 109.971 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.558 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 57.8 mtt180 -81.54 138.21 35.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.979 -1.009 . . . . 74.21 110.435 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HG2' ' HB3' ' A' ' 68' ' ' ASN . 34.8 mtp-105 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.44 -0.79 . . . . 75.33 109.478 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.678 0.275 . . . . 72.33 110.287 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.09 96.15 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 63.04 110.362 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -110.21 29.74 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.232 -0.655 . . . . 73.32 109.232 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -131.67 101.24 5.4 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.507 -0.77 . . . . 74.33 110.487 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -77.57 148.38 35.21 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.618 -0.512 . . . . 72.12 109.618 175.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -160.44 136.88 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.205 -0.294 . . . . 74.41 110.205 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -141.04 93.0 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 74.24 111.532 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.47 154.83 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.408 -0.96 . . . . 75.44 108.408 168.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 62.7 mtt -68.95 -73.21 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.651 0.262 . . . . 63.23 111.632 -173.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.17 -126.62 6.02 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.944 -0.646 . . . . 74.43 112.326 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -99.89 115.34 29.39 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.141 0.496 . . . . 73.24 111.89 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.5 mp -117.67 -13.09 10.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.475 -0.784 . . . . 73.43 109.318 174.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -165.5 149.81 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.186 -1.042 . . . . 62.32 108.186 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.07 138.9 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.819 0.343 . . . . 75.13 110.893 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.88 143.68 47.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.746 -0.835 . . . . 73.54 108.746 175.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 m -114.87 110.53 19.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 73.04 111.709 -174.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 177.78 9.2 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.727 -0.67 . . . . 71.34 109.436 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.93 -176.49 25.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.819 -0.705 . . . . 71.43 112.119 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -98.04 -161.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.564 2.842 . . . . 74.15 112.3 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.53 28.41 0.15 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.688 -0.687 . . . . 74.25 111.935 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 p -140.79 88.55 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.808 0.337 . . . . 73.2 110.496 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 63.7 mtt -141.54 99.46 3.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.149 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -167.58 145.12 4.51 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.362 -0.381 . . . . 74.11 110.428 176.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.06 100.95 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.378 -0.689 . . . . 71.41 111.378 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -59.93 104.72 0.32 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.231 0.539 . . . . 60.0 110.977 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 89.6 mtp -141.0 154.96 68.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.465 -0.789 . . . . 62.34 109.83 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.11 154.51 27.78 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.539 2.159 . . . . 74.34 112.403 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.6 t -67.23 115.59 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.604 -0.517 . . . . 70.24 109.604 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 p -73.66 -174.16 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 73.11 111.284 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -92.72 2.26 56.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.37 -0.377 . . . . 75.4 111.471 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.63 99.58 0.61 Allowed 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.867 -0.42 . . . . 62.5 109.867 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -82.64 -31.46 28.74 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.122 -0.49 . . . . 74.21 109.896 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.31 106.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 64.33 109.714 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.427 ' HB ' HG22 ' A' ' 85' ' ' VAL . 35.5 m -83.45 125.47 31.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.549 -0.75 . . . . 74.34 110.456 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -119.07 128.8 54.67 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.628 -0.508 . . . . 74.11 109.628 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.77 134.94 25.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 74.5 109.52 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 58.0 m -89.65 134.63 34.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.706 -0.479 . . . . 71.23 109.706 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.9 m-85 -111.66 140.55 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 74.21 111.613 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 76.9 ttt180 -149.22 120.31 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.674 -0.693 . . . . 74.33 109.674 166.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.426 ' HB ' HD12 ' A' ' 92' ' ' LEU . 10.3 p -121.55 143.85 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.399 -0.593 . . . . 72.44 109.399 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 30.0 p -104.48 150.47 24.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.039 -0.528 . . . . 74.2 109.703 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.93 141.16 15.41 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.711 -0.757 . . . . 41.4 111.729 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.48 -43.08 70.51 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.741 -0.466 . . . . 54.14 109.741 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 m -122.91 83.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 73.31 110.151 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 60.02 98.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.804 -0.635 . . . . 75.34 111.074 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.44 95.84 0.32 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.688 -0.687 . . . . 52.52 113.208 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.2 m -125.38 123.18 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 73.2 109.594 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 146.92 24.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.9 -0.407 . . . . 74.42 109.9 -178.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.14 116.45 29.36 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.312 0.577 . . . . 74.22 111.654 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -48.05 -43.74 30.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.739 -1.119 . . . . 70.43 111.594 -176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -50.53 -60.85 2.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.07 -0.514 . . . . 63.52 111.42 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -69.4 -35.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.618 . . . . 73.2 111.074 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -58.44 -53.79 54.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.947 0.403 . . . . 73.23 110.524 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -69.93 -35.28 74.43 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.7 -178.257 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 61.9 tttp -58.6 -52.26 66.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.074 0.464 . . . . 65.33 110.048 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.68 -55.42 20.17 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.511 -0.768 . . . . 63.1 110.371 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -60.82 -38.53 85.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.486 -0.779 . . . . 74.43 111.779 -175.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 -40.42 65.11 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.817 0.342 . . . . 61.14 110.306 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.01 82.96 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.956 -0.565 . . . . 73.43 111.472 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD12 ' HG3' ' A' ' 84' ' ' GLN . 3.3 mm? -92.94 -12.34 31.09 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.459 -0.337 . . . . 74.52 111.303 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.6 t 67.25 61.77 0.47 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.289 0.635 . . . . 74.53 111.433 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -93.65 149.28 21.36 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.801 -0.636 . . . . 73.12 109.692 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.7 m -123.8 164.43 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 63.31 110.013 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.75 -126.45 2.88 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 111.268 -0.733 . . . . 63.55 111.268 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.644 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.11 144.24 4.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.076 0.438 . . . . 74.34 111.051 176.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 117' ' ' PHE . 8.6 t -138.76 137.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.796 -0.638 . . . . 72.34 110.146 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.68 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.0 t -141.31 161.71 37.23 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.245 0.966 . . . . 62.0 109.534 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' HB2' HG21 ' A' ' 119' ' ' ILE . 2.7 t30 -117.26 126.94 53.55 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.879 -0.415 . . . . 73.4 109.879 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -87.82 146.71 25.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 74.0 110.888 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.91 -30.9 64.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.04 -0.527 . . . . 73.5 111.093 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.24 -12.98 57.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.962 -0.563 . . . . 73.01 111.01 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.09 50.57 2.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 64.4 111.709 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 t -149.15 131.65 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.774 -0.454 . . . . 74.3 109.774 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 23.6 t -92.67 132.76 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 p -139.52 151.23 45.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 50.11 110.936 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 65' ' ' TYR . . . 169.89 -160.28 33.22 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.757 -0.537 . . . . 53.55 111.757 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.5 t -140.5 143.67 28.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 109.988 -0.375 . . . . 74.14 109.988 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.93 144.19 24.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 109.724 -0.473 . . . . 73.44 109.724 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.454 ' HB2' HG23 ' A' ' 63' ' ' VAL . 3.2 mt-30 -141.1 130.66 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.271 -0.641 . . . . 75.34 109.271 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.37 -174.08 37.05 Favored Glycine 0 CA--C 1.516 0.142 0 C-N-CA 120.986 -0.626 . . . . 73.2 112.134 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -59.89 139.02 86.09 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.581 2.187 . . . . 73.32 112.005 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -52.7 -33.13 46.21 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.653 0.612 . . . . 71.14 112.653 -173.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.1 pt-20 -70.27 -42.14 72.51 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.888 0.375 . . . . 53.44 110.726 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.488 ' HG3' HD12 ' A' ' 60' ' ' LEU . 1.7 mp0 -71.26 -37.83 71.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.298 -0.41 . . . . 73.41 110.365 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.427 HG22 ' HB ' ' A' ' 34' ' ' THR . 88.8 t -63.05 -36.59 76.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.691 -0.485 . . . . 73.43 109.691 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.463 ' HA ' HG13 ' A' ' 89' ' ' VAL . 26.1 t70 -65.08 -40.97 95.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.705 -0.68 . . . . 72.04 109.98 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.05 81.67 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.065 0.459 . . . . 62.15 110.434 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -66.56 -47.39 72.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.417 -0.81 . . . . 74.13 111.258 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG13 ' HA ' ' A' ' 86' ' ' ASP . 7.4 p -67.18 -36.16 76.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.397 0.618 . . . . 71.34 110.594 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.526 -0.761 . . . . 73.32 109.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.08 -40.02 86.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.546 -0.752 . . . . 72.24 109.875 170.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.426 HD12 ' HB ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -59.59 -38.73 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 60.14 109.977 -179.056 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -62.64 -23.9 67.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.103 -0.499 . . . . 73.34 111.294 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -85.12 -34.13 22.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.212 0.53 . . . . 75.41 109.593 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.46 -93.23 0.29 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.283 -0.871 . . . . 31.54 111.858 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 98' ' ' LYS . 66.8 m -160.54 133.71 4.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.187 -0.672 . . . . 75.45 109.187 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.34 9.32 0.41 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 122.712 2.275 . . . . 63.34 113.103 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 96' ' ' SER . 29.4 mmmt -107.8 -0.71 21.47 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.672 0.389 . . . . 75.23 110.852 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -156.72 -176.0 5.73 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.432 -0.349 . . . . 74.13 110.089 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.55 134.73 58.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.298 -0.41 . . . . 75.45 110.142 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.85 145.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 73.33 111.005 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 21.8 ttmm -87.77 -57.46 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 64.2 109.476 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -158.07 134.52 9.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.909 -0.587 . . . . 72.44 110.705 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.34 139.48 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.028 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -137.74 124.68 21.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 74.04 110.38 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.7 mm -117.96 145.56 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.469 -0.332 . . . . 72.12 110.331 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 57.9 m170 -122.2 152.38 40.03 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.912 0.387 . . . . 72.44 110.952 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.48 5.85 11.8 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.787 1.235 . . . . 71.54 113.786 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.699 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.4 m -59.31 131.67 51.71 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.156 0.503 . . . . 75.32 111.667 -167.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 p -71.23 178.54 3.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.134 -0.939 . . . . 73.01 112.009 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -47.62 125.34 8.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.809 -0.632 . . . . 70.34 112.683 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.42 176.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.003 -0.999 . . . . 64.31 109.027 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.04 133.23 41.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.976 0.417 . . . . 74.32 110.257 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.39 139.82 54.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.429 -0.805 . . . . 61.52 112.315 -172.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 14.3 t70 -109.91 -48.72 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.033 -0.729 . . . . 74.33 109.033 176.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.68 139.91 3.3 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.537 -0.756 . . . . 52.42 112.478 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.406 ' CD1' HG23 ' A' ' 66' ' ' VAL . 24.7 m-85 -82.2 112.13 18.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.652 -0.87 . . . . 64.33 108.652 171.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -159.94 121.21 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.094 0.474 . . . . 71.34 110.753 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' ASN . 22.3 mm -63.35 87.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.441 0.639 . . . . 72.11 109.869 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.68 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 14.0 mtt-85 -65.56 131.09 45.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 74.21 111.421 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 114.935 -1.03 . . . . 75.33 109.645 -175.374 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.95 0.405 . . . . 72.33 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.28 134.11 30.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.92 -0.582 . . . . 63.04 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -155.66 115.73 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.652 0.263 . . . . 73.32 111.038 -173.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -81.3 156.6 25.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.35 -0.611 . . . . 74.33 109.35 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -151.73 137.76 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.378 . . . . 72.12 110.73 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -133.65 164.41 27.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.887 -0.783 . . . . 74.41 108.887 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -74.82 -44.97 46.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 74.24 110.919 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -137.16 138.42 40.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.412 . . . . 75.44 110.821 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.7 ptm -153.19 132.11 12.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.438 -0.579 . . . . 63.23 109.438 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.64 122.5 2.16 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.114 -0.794 . . . . 74.43 111.114 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 p -111.91 175.41 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.697 0.399 . . . . 73.24 110.798 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.4 117.52 34.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.637 -0.256 . . . . 73.43 110.543 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -140.14 85.14 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.551 0.691 . . . . 62.32 110.72 173.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.3 93.33 3.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.845 . . . . 75.13 109.097 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -108.29 172.89 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.892 -0.595 . . . . 73.54 110.75 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -151.72 168.24 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 73.04 109.883 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 -179.92 8.56 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.399 -0.364 . . . . 71.34 110.441 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.48 171.4 21.95 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.112 -0.494 . . . . 71.43 111.903 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -94.58 -156.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.341 2.694 . . . . 74.15 111.782 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.05 155.82 26.56 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 111.882 -0.487 . . . . 74.25 111.882 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -158.26 176.54 12.35 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.26 -0.274 . . . . 73.2 110.26 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.3 mtt -137.61 112.97 9.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.419 -0.355 . . . . 73.31 110.267 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -163.99 142.63 7.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.028 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.16 -158.19 21.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.958 -0.639 . . . . 71.41 112.544 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -147.55 167.17 25.19 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.78 0.324 . . . . 60.0 110.588 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -118.04 144.1 34.08 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-N 116.218 -0.446 . . . . 62.34 110.674 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.93 -175.93 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.288 2.659 . . . . 74.34 112.586 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -154.82 -176.97 6.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.14 -0.482 . . . . 70.24 110.208 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.3 t -154.41 172.43 17.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 73.11 109.757 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 p -150.57 22.35 0.81 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.434 0.635 . . . . 75.4 109.974 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.01 50.64 1.24 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.289 -0.868 . . . . 62.5 111.546 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.12 -21.98 63.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.1 0.476 . . . . 74.21 110.605 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.46 105.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 64.33 110.173 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 m -82.05 150.92 27.31 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.535 -0.757 . . . . 74.34 109.656 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -142.05 128.55 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 74.11 110.327 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -139.94 136.93 34.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 74.5 109.417 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.733 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 83.3 m -87.49 135.01 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.907 -0.405 . . . . 71.23 109.907 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.8 143.39 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.127 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -154.27 110.99 3.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.079 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -111.84 145.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.464 -0.569 . . . . 72.44 109.464 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.449 HG21 ' HB3' ' A' ' 73' ' ' SER . 7.5 p -99.76 134.17 43.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.604 -0.517 . . . . 74.2 109.604 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.22 148.05 17.93 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.004 -0.617 . . . . 41.4 112.654 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -81.03 -35.07 32.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 54.14 110.345 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' GLY . 22.6 t -101.77 77.43 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.127 -0.488 . . . . 73.31 109.987 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 54.73 -82.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.206 -0.906 . . . . 75.34 111.654 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -173.9 30.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.127 -0.558 . . . . 52.52 112.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 47' ' ' VAL . 7.5 p -80.86 94.46 2.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.675 0.75 . . . . 73.2 110.196 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HB2' HG23 ' A' ' 74' ' ' VAL . 10.1 t80 -96.84 133.06 41.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.476 -0.784 . . . . 74.42 109.554 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -62.52 84.31 0.02 OUTLIER 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.676 0.621 . . . . 74.22 112.676 -176.34 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -50.17 -41.05 48.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.294 -0.866 . . . . 70.43 111.826 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -53.9 -54.71 34.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.275 0.56 . . . . 63.52 111.056 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.98 -38.05 79.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.432 -0.804 . . . . 73.2 110.378 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -61.17 -41.13 96.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.009 0.433 . . . . 73.23 110.527 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.35 -51.87 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.24 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -56.44 -50.09 72.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.967 -0.56 . . . . 65.33 110.719 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.93 -56.99 14.88 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.534 -0.757 . . . . 63.1 110.573 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -61.88 -41.95 98.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 74.43 111.371 -175.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.35 -42.8 82.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.732 0.301 . . . . 61.14 110.86 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.01 68.9 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.229 -0.441 . . . . 73.43 111.019 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.4 mm? -80.17 -12.71 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.411 -0.358 . . . . 74.52 110.633 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 68.59 48.67 0.79 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.017 -0.538 . . . . 74.53 111.707 174.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 57' ' ' ALA . 2.7 mm? -84.73 133.88 34.36 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.777 -0.453 . . . . 73.12 109.777 173.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -111.4 163.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.227 -0.657 . . . . 63.31 109.227 174.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.11 -129.39 4.05 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.667 -0.973 . . . . 63.55 110.667 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 149.67 5.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.218 0.509 . . . . 74.34 110.926 177.281 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 ' HB ' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -139.32 149.39 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.973 -0.381 . . . . 72.34 109.973 175.19 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.7 t -161.69 161.83 29.58 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.899 0.749 . . . . 62.0 110.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . 56.8 t30 -95.76 164.49 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.419 -0.586 . . . . 73.4 109.419 174.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.96 153.26 49.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 74.0 109.114 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.87 -12.13 16.2 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.842 0.353 . . . . 73.5 111.07 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.21 -19.47 65.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.575 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.51 43.73 6.07 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.52 -1.032 . . . . 64.4 110.52 -171.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.449 ' HB3' HG21 ' A' ' 41' ' ' THR . 63.8 p -151.05 133.54 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.722 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 68' ' ' ASN . 59.4 t -92.57 115.0 30.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.37 -0.604 . . . . 61.55 109.37 177.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 p -115.17 156.96 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 50.11 110.685 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.95 -165.62 36.34 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.256 -0.497 . . . . 53.55 112.266 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.63 135.51 34.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 122.919 0.488 . . . . 74.14 109.954 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.24 136.53 49.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 124.011 0.819 . . . . 73.44 110.06 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -132.54 151.72 51.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.04 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.91 -170.27 24.59 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.402 -0.679 . . . . 73.2 111.402 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.4 Cg_endo -57.34 138.75 87.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.332 2.022 . . . . 73.32 111.339 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.745 ' HZ2' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -52.87 -33.06 48.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.411 0.522 . . . . 71.14 112.411 -173.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.55 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 9.5 pt-20 -70.02 -34.18 72.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.989 0.424 . . . . 53.44 110.937 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.533 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.9 mp0 -74.93 -43.11 55.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 73.41 110.428 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.29 -39.86 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 28.4 t70 -60.8 -42.29 97.31 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 115.241 -0.891 . . . . 72.04 110.412 174.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.43 81.41 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.17 0.51 . . . . 62.15 110.28 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -66.95 -38.53 86.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.647 -0.706 . . . . 74.13 111.181 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.548 HG11 ' O ' ' A' ' 86' ' ' ASP . 6.7 p -68.62 -38.07 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.955 -0.298 . . . . 71.34 110.513 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 74.8 mmtt -60.64 -47.44 86.22 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.835 -0.802 . . . . 73.32 108.835 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.32 -38.96 72.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.952 -1.022 . . . . 72.24 110.798 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -37.41 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 60.14 110.194 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 89' ' ' VAL . 16.2 m-70 -71.51 -23.48 61.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.318 -0.401 . . . . 73.34 110.437 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 11.3 mmmm -65.8 -42.38 90.76 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.04 0.448 . . . . 75.41 110.071 176.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.38 176.26 46.65 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.592 -0.731 . . . . 31.54 112.537 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 99' ' ' SER . 38.3 m -79.6 154.11 76.1 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 75.45 110.469 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.54 -54.56 5.15 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.045 2.497 . . . . 63.34 113.186 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' HZ2' ' HB2' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -120.99 -26.52 5.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.534 -0.303 . . . . 75.23 111.016 -177.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 96' ' ' SER . 10.1 m -70.84 78.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.86 -0.793 . . . . 74.13 108.86 172.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.41 140.17 13.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.349 -0.842 . . . . 75.45 111.494 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.53 139.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.808 -0.633 . . . . 73.33 110.148 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -82.9 -51.21 7.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 64.2 110.034 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -166.64 144.39 5.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.883 -0.599 . . . . 72.44 110.018 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.28 144.44 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.024 -0.361 . . . . 63.52 110.024 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.0 m -137.98 129.21 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.136 -0.69 . . . . 74.04 109.136 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.92 152.68 24.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 109.833 -0.432 . . . . 72.12 109.833 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 4.9 t60 -135.08 145.88 48.37 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.21 0.529 . . . . 72.44 111.4 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.42 6.5 2.92 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.867 1.267 . . . . 71.54 114.346 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.733 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 53.2 m -59.88 138.04 57.91 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.417 0.627 . . . . 75.32 112.176 -167.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.6 p -76.03 178.56 6.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.788 -1.097 . . . . 73.01 112.068 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -50.5 124.18 10.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.671 -0.695 . . . . 70.34 112.165 -173.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -112.09 175.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.963 -0.754 . . . . 64.31 108.963 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.3 126.93 37.59 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.763 -0.458 . . . . 74.32 109.763 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.52 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 61.52 112.544 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.517 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 23.0 m-20 -115.23 -56.36 2.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.701 -0.681 . . . . 74.33 109.914 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.57 149.18 5.0 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.783 -0.644 . . . . 52.42 112.414 -176.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.463 ' CD2' ' HB ' ' A' ' 66' ' ' VAL . 54.5 m-85 -91.63 111.74 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.657 -0.32 . . . . 64.33 110.363 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.488 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 12.6 pt-20 -162.82 135.86 5.76 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 110.333 -0.247 . . . . 71.34 110.333 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 68' ' ' ASN . 40.2 mm -72.33 86.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.438 0.637 . . . . 72.11 110.341 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.52 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 93.5 mtt180 -83.88 144.45 29.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 74.21 109.97 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.399 -0.81 . . . . 75.33 110.261 -177.444 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.106 0.479 . . . . 72.33 110.408 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 109.34 21.24 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.818 -0.628 . . . . 63.04 109.97 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -76.82 79.71 3.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.253 0.549 . . . . 73.32 110.409 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -69.67 118.74 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.421 -0.809 . . . . 74.33 109.797 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -63.22 -47.5 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.568 0.21 . . . . 72.12 111.568 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.7 t60 69.42 -31.63 0.21 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.749 1.388 . . . . 74.41 114.749 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -55.02 121.91 9.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.265 0.484 . . . . 74.24 111.997 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -121.2 111.14 17.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.783 -0.644 . . . . 75.44 109.635 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.7 ttm -105.57 150.97 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 63.23 110.996 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.94 171.58 14.04 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.557 -0.617 . . . . 74.43 111.557 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 m -125.25 160.64 28.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.235 -0.283 . . . . 73.24 110.235 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 12' ' ' LEU . 5.8 mp -109.79 144.94 37.51 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.822 -0.436 . . . . 73.43 109.822 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.3 176.53 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.491 -0.322 . . . . 62.32 110.241 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.57 125.57 8.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.294 -0.412 . . . . 75.13 110.439 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -111.41 165.11 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.458 -0.337 . . . . 73.54 110.234 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.11 -176.2 4.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.079 0.466 . . . . 73.04 111.557 -175.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -130.18 155.17 46.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.861 -0.609 . . . . 71.34 109.811 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.15 140.64 7.13 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.277 -0.487 . . . . 71.43 111.941 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -94.87 -157.35 0.05 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.421 2.748 . . . . 74.15 112.023 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.94 158.87 28.04 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 111.339 -0.704 . . . . 74.25 111.339 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -94.34 172.98 7.86 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 109.959 -0.386 . . . . 73.2 109.959 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.1 tpp -163.29 130.81 3.55 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.762 0.315 . . . . 73.31 111.185 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -151.9 129.12 11.19 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.256 -0.646 . . . . 74.11 109.256 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.59 168.43 26.56 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.147 -0.549 . . . . 71.41 113.223 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -161.23 107.86 1.42 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.994 0.518 . . . . 60.0 109.613 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.535 ' SD ' ' N ' ' A' ' 26' ' ' MET . 1.3 mpt? -110.63 150.81 42.26 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.67 -175.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.64 -178.61 4.42 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.72 2.28 . . . . 74.34 111.783 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -152.11 -171.39 3.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.949 -0.389 . . . . 70.24 109.949 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m 68.61 151.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.096 0.558 . . . . 73.11 111.212 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.0 p -144.75 -57.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 75.4 110.946 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.15 145.71 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.783 -0.644 . . . . 62.5 110.921 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -111.13 -31.47 7.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.115 0.483 . . . . 74.21 109.765 171.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -138.34 130.97 39.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.578 -0.737 . . . . 64.33 109.849 177.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -84.87 135.27 34.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.435 -0.58 . . . . 74.34 109.435 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.489 HG21 ' HG2' ' A' ' 79' ' ' GLN . 95.2 m -142.99 133.75 25.29 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.401 -0.222 . . . . 74.11 110.401 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' A' ' 106' ' ' ILE . 4.9 mp -147.51 140.56 25.07 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.067 -0.515 . . . . 74.5 110.494 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 59.3 m -81.87 140.32 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 71.23 110.299 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -112.32 141.18 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.391 . . . . 74.21 111.177 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -147.41 110.77 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 74.33 109.096 172.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.86 149.2 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.737 0.303 . . . . 72.44 110.773 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.441 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 12.8 p -106.69 135.32 48.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.343 -0.389 . . . . 74.2 110.703 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.51 114.9 3.91 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 121.113 -0.565 . . . . 41.4 112.113 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -76.72 -41.5 44.9 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.131 0.491 . . . . 54.14 110.056 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 59.2 t -106.58 132.52 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.51 -0.768 . . . . 73.31 109.873 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.42 88.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.528 . . . . 75.34 110.272 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.8 151.36 23.1 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.425 -0.807 . . . . 52.52 111.504 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.49 119.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 73.2 111.465 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' HD2' HD13 ' A' ' 119' ' ' ILE . 44.4 t80 -68.69 102.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.852 -1.166 . . . . 74.42 107.852 171.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 48.3 m-85 -59.68 91.56 0.02 OUTLIER 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.591 0.589 . . . . 74.22 112.591 -172.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' HB3' HG12 ' A' ' 119' ' ' ILE . 14.4 ptm180 -54.48 -26.44 31.37 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.192 -0.913 . . . . 70.43 110.621 173.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -45.34 84.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.744 0.306 . . . . 63.52 110.274 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -74.05 -34.73 64.16 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.059 -0.348 . . . . 73.2 110.059 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -60.84 -39.35 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 73.23 110.024 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.691 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 9.0 mtpm? -71.4 -38.24 71.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.065 -0.516 . . . . 52.34 110.951 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.81 -52.17 66.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 65.33 109.921 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -59.68 -57.21 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.287 -0.869 . . . . 63.1 110.544 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -58.13 -45.41 87.4 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.298 -0.865 . . . . 74.43 111.641 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.69 -44.27 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.767 0.318 . . . . 61.14 111.262 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.67 88.22 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.104 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -83.41 -11.71 57.26 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.022 -0.535 . . . . 74.52 110.745 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 67.82 46.93 1.19 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.243 0.617 . . . . 74.53 112.121 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.24 138.63 33.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.827 -0.624 . . . . 73.12 109.417 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 79' ' ' GLN . 33.2 m -111.6 158.84 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.022 -0.732 . . . . 63.31 109.022 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.64 -141.48 9.8 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 110.84 -0.904 . . . . 63.55 110.84 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.436 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.03 147.33 5.57 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.301 0.55 . . . . 74.34 111.572 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.8 148.54 24.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.952 -0.567 . . . . 72.34 109.631 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -157.29 161.85 39.15 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 124.216 0.948 . . . . 62.0 109.709 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.588 ' HB2' HG21 ' A' ' 119' ' ' ILE . 3.1 t-20 -107.25 130.57 54.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.072 0.463 . . . . 73.4 110.937 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.36 155.53 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 74.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.94 -24.65 39.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.772 0.429 . . . . 73.5 111.711 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.47 -11.06 59.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.28 -0.418 . . . . 73.01 111.58 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.73 21.13 48.47 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.341 -0.704 . . . . 64.4 111.341 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 p -112.08 138.66 48.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.858 -0.423 . . . . 74.3 109.858 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.95 121.22 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.652 -0.499 . . . . 61.55 109.652 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -124.27 164.32 19.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.691 0.282 . . . . 50.11 111.022 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.66 -161.14 34.36 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.193 -0.458 . . . . 53.55 112.183 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.68 140.61 33.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 122.694 0.397 . . . . 74.14 110.058 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.02 141.15 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.823 -0.436 . . . . 73.44 109.823 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.489 ' HG2' HG21 ' A' ' 35' ' ' THR . 3.4 mt-30 -142.07 131.27 23.4 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.51 -0.552 . . . . 75.34 109.51 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.4 -169.87 37.03 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 111.826 -0.51 . . . . 73.2 111.826 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 30.1 Cg_endo -63.8 141.12 77.22 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.465 2.11 . . . . 73.32 111.221 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -27.26 57.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.366 0.266 . . . . 71.14 111.591 -173.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 63.6 mm-40 -64.44 -49.37 71.73 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.887 0.851 . . . . 53.44 110.392 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.4 mp0 -75.05 -31.02 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.094 -0.957 . . . . 73.41 110.618 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.155 -0.683 . . . . 73.43 109.155 173.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.471 ' O ' HG11 ' A' ' 89' ' ' VAL . 19.1 t70 -59.73 -48.34 82.06 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.565 -0.743 . . . . 72.04 110.052 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.86 63.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.777 -0.647 . . . . 62.15 110.681 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.43 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.2 t80 -66.57 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.234 -0.894 . . . . 74.13 111.263 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 86' ' ' ASP . 9.4 p -64.85 -35.25 74.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.915 0.388 . . . . 71.34 110.425 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.47 -37.36 77.26 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.331 -0.395 . . . . 73.32 110.445 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.46 -40.79 92.49 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.33 -0.619 . . . . 72.24 109.33 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -36.72 84.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.562 -0.745 . . . . 60.14 110.285 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.65 -29.17 67.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.297 -0.411 . . . . 73.34 110.16 176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.7 tpmt? -80.02 -37.32 34.33 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.829 -0.623 . . . . 75.41 109.892 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.86 -117.81 4.58 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.485 -0.779 . . . . 31.54 112.203 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -126.42 144.73 50.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.573 -0.528 . . . . 75.45 109.573 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.29 -15.43 49.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.972 1.782 . . . . 63.34 111.397 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 57.3 tptt -97.57 -26.63 14.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.107 -0.497 . . . . 75.23 110.888 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.465 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 4.9 p -142.67 129.57 20.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 74.13 110.993 -175.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.6 t -87.11 152.63 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.061 -0.518 . . . . 75.45 109.831 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.12 131.55 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.98 0.419 . . . . 73.33 110.659 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 62.7 tttm -77.41 -51.1 11.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.643 -0.873 . . . . 64.2 108.643 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -162.91 148.51 12.01 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.111 -0.95 . . . . 72.44 109.467 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.26 143.83 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.52 110.398 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.7 m -133.53 126.97 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 74.04 109.66 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 36' ' ' LEU . 12.1 mm -117.72 155.93 19.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 16.7 t60 -137.79 144.75 41.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.361 . . . . 72.44 110.734 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.37 6.46 1.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.11 1.522 . . . . 71.54 115.11 -170.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.595 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.64 133.49 56.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.581 0.628 . . . . 75.32 112.125 -167.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.1 p -69.43 178.32 2.49 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.189 -0.914 . . . . 73.01 112.504 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -52.82 138.2 30.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.723 . . . . 70.34 111.838 -172.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.72 176.16 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.712 -0.676 . . . . 64.31 110.506 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.99 124.53 24.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.003 -0.544 . . . . 74.32 110.023 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 61.52 111.043 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 22.9 t70 -140.72 -51.72 0.47 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.915 -0.584 . . . . 74.33 110.404 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.98 141.32 3.33 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.044 -0.526 . . . . 52.42 112.564 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.38 112.61 21.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.504 -0.554 . . . . 64.33 109.504 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 14.9 pt-20 -156.29 169.67 24.03 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.386 -0.525 . . . . 71.34 110.56 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.588 HG21 ' HB2' ' A' ' 68' ' ' ASN . 36.6 mm -102.59 86.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.268 0.556 . . . . 72.11 110.172 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.467 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.9 mtt180 -87.4 144.24 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.78 -1.1 . . . . 74.21 109.794 175.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.292 -0.861 . . . . 75.33 109.846 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.206 0 CA-C-O 120.622 0.249 . . . . 72.33 110.34 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.56 131.34 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 63.04 110.315 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -116.59 98.16 6.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.259 -0.645 . . . . 73.32 109.259 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -68.26 139.66 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 74.33 111.586 -174.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -158.33 168.91 25.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.242 -1.021 . . . . 72.12 108.242 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -131.16 139.32 49.75 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.932 0.396 . . . . 74.41 111.577 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -136.71 115.27 11.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.616 -0.72 . . . . 74.24 109.286 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -67.3 156.42 36.45 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 75.44 111.136 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.7 ttp -54.53 111.85 0.89 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.079 -0.51 . . . . 63.23 111.036 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.79 41.03 0.59 Allowed Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.16 -0.776 . . . . 74.43 111.16 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 p -111.65 152.36 27.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.933 0.397 . . . . 73.24 111.338 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.02 164.15 24.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.732 -0.667 . . . . 73.43 109.485 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.16 139.55 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.846 -0.427 . . . . 62.32 109.846 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.954 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -92.97 15.24 15.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.556 1.169 . . . . 73.54 111.206 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 t -155.17 -173.53 4.6 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 112.666 -2.061 . . . . 73.04 110.021 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -146.18 -178.32 6.08 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 122.522 0.329 . . . . 71.34 110.188 -178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.99 125.11 35.65 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.467 -0.653 . . . . 71.43 111.467 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.7 8.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.899 2.399 . . . . 74.15 113.028 -174.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.95 -104.24 0.09 OUTLIER Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.167 -0.54 . . . . 74.25 112.298 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p 46.54 33.68 2.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.533 0.733 . . . . 73.2 111.955 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.4 mmt -136.24 135.56 39.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 73.31 109.713 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.49 179.1 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.439 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -173.91 87.02 0.08 OUTLIER Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.99 -0.624 . . . . 71.41 112.162 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 p -73.9 151.83 40.32 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 110.232 -0.284 . . . . 60.0 110.232 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 26' ' ' MET . 1.5 pmm? -129.63 136.69 29.48 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 116.573 -0.285 . . . . 62.34 111.113 -176.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 12.9 Cg_exo -71.42 -175.41 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.941 2.427 . . . . 74.34 111.528 174.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 m -148.43 159.28 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 70.24 111.087 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 p -166.09 106.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.823 -0.626 . . . . 73.11 109.758 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 m -82.92 138.53 33.8 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.44 -0.346 . . . . 75.4 111.09 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.54 144.9 56.17 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.23 -0.441 . . . . 62.5 110.452 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.67 -31.66 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.21 111.781 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.72 137.47 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.559 -0.291 . . . . 64.33 110.32 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 m -92.92 141.59 28.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.611 -0.515 . . . . 74.34 109.611 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.1 m -143.74 137.45 28.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.741 0.305 . . . . 74.11 110.779 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.09 140.98 29.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 74.5 109.339 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 43.6 t -91.29 136.68 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.422 -0.584 . . . . 71.23 109.422 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.451 ' HH ' HG23 ' A' ' 89' ' ' VAL . 1.7 m-85 -111.54 141.63 44.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 74.21 110.756 -174.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -150.38 110.42 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.454 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' HB ' HD11 ' A' ' 92' ' ' LEU . 14.5 p -107.6 147.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 72.44 109.985 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.0 p -116.96 117.15 28.89 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.856 -0.794 . . . . 74.2 108.856 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . -156.78 178.26 33.3 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.527 -0.844 . . . . 41.4 113.383 -174.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -99.61 88.38 3.82 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.721 0.808 . . . . 54.14 110.062 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG11 ' O ' ' A' ' 44' ' ' VAL . 7.2 p -81.9 95.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.775 0.797 . . . . 73.31 110.878 -178.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 82.2 mm-40 -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.107 -0.701 . . . . 75.34 109.107 175.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.42 -110.66 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 111.041 -0.824 . . . . 52.52 111.041 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -138.7 152.13 24.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.802 0.334 . . . . 73.2 110.757 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' A' ' 119' ' ' ILE . 35.7 t80 -69.57 115.56 8.96 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.22 -1.03 . . . . 74.42 108.22 174.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -54.35 97.09 0.02 OUTLIER 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.191 0.812 . . . . 74.22 113.191 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.704 ' HD3' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mmm180 -55.63 -29.19 58.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.114 -0.948 . . . . 70.43 111.086 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.63 -50.63 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 63.52 110.803 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.18 -32.02 49.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.843 -0.617 . . . . 73.2 110.524 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -61.45 -47.88 83.7 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.078 0.466 . . . . 73.23 110.009 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -62.74 -48.27 79.92 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.388 -0.824 . . . . 52.34 110.104 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 1.6 tmtm? -52.53 -51.7 58.36 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.31 -0.405 . . . . 65.33 110.48 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 4.5 tp10 -63.02 -58.61 6.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.939 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.493 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -63.59 -44.66 93.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.741 -0.663 . . . . 74.43 111.49 -175.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.59 -37.62 85.28 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.348 -0.387 . . . . 61.14 111.149 -177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.14 66.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.71 0.29 . . . . 73.43 111.475 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.8 -4.67 54.64 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.194 0.442 . . . . 74.52 112.194 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m 68.26 49.11 0.85 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.26 0.467 . . . . 74.53 112.26 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' HB3' HG11 ' A' ' 78' ' ' VAL . 2.8 mm? -97.89 133.7 42.02 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.762 -0.829 . . . . 73.12 108.762 168.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 79' ' ' GLN . 34.0 m -123.28 172.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.853 -0.425 . . . . 63.31 109.853 176.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 143.78 -120.98 1.56 Allowed Glycine 0 C--O 1.236 0.256 0 N-CA-C 111.163 -0.775 . . . . 63.55 111.163 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 150.66 6.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.089 0.444 . . . . 74.34 111.447 176.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.03 146.0 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 116.503 -0.317 . . . . 72.34 110.942 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -155.18 161.81 41.11 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.754 0.822 . . . . 62.0 109.178 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.609 ' HB2' HG22 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -122.54 115.66 22.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.842 0.353 . . . . 73.4 110.594 -175.083 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.53 149.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 74.0 109.969 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.85 -38.93 52.05 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.284 0.476 . . . . 73.5 112.284 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.02 -19.83 62.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.568 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.54 -27.6 4.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 64.4 112.852 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -63.58 131.45 48.09 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.701 0.286 . . . . 74.3 110.824 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' HB ' HG11 ' A' ' 40' ' ' VAL . 36.2 t -103.36 132.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.263 -0.643 . . . . 61.55 109.263 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 p -130.64 152.78 49.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 50.11 110.759 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.51 -167.46 39.4 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.951 -0.568 . . . . 53.55 111.828 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.407 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 45.9 t -140.11 138.06 37.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 110.104 -0.332 . . . . 74.14 110.104 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 62' ' ' LEU . 75.0 t -116.44 137.82 48.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 O-C-N 123.703 0.627 . . . . 73.44 109.88 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.9 pt20 -142.55 127.34 18.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 75.34 109.942 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.99 -143.68 8.21 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.353 -0.699 . . . . 73.2 111.353 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.14 129.77 8.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.641 2.227 . . . . 73.32 111.296 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.551 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.46 -35.14 5.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.054 0.761 . . . . 71.14 113.054 -176.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.551 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 5.4 pt-20 -70.63 -44.2 67.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 53.44 111.394 -178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.8 -34.3 71.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 73.41 110.39 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 89' ' ' VAL . 85.1 t -59.35 -45.75 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 109.192 -0.67 . . . . 73.43 109.192 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.442 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 8.6 t70 -55.0 -49.76 70.7 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.517 -0.765 . . . . 72.04 109.966 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.14 -39.0 66.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.526 -0.761 . . . . 62.15 111.036 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.493 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -70.53 -34.3 72.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 74.13 110.122 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.451 HG23 ' HH ' ' A' ' 38' ' ' TYR . 89.3 t -61.06 -43.66 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 121.245 0.545 . . . . 71.34 109.763 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.97 -38.79 92.54 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.68 -0.691 . . . . 73.32 110.283 177.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -59.78 -44.42 93.9 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.155 0.502 . . . . 72.24 109.735 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.495 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -62.47 -35.61 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.557 -0.747 . . . . 60.14 110.663 178.227 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -73.0 -21.71 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 73.34 110.792 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 34.2 mmtp -83.12 -33.68 26.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.804 0.335 . . . . 75.41 110.118 175.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.13 -132.1 20.99 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.927 -0.579 . . . . 31.54 112.199 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.7 p -160.79 148.74 12.7 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 109.986 -0.376 . . . . 75.45 109.986 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.13 -55.78 0.88 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 124.519 3.479 . . . . 63.34 114.831 -173.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.707 ' HZ3' ' HB3' ' A' ' 98' ' ' LYS . 8.3 mtpm? -99.49 15.25 27.08 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.874 0.324 . . . . 75.23 111.874 -172.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -124.68 92.99 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.102 -0.703 . . . . 74.13 109.102 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.8 91.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 121.54 0.686 . . . . 75.45 110.591 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.432 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 27.0 m -69.09 143.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.873 -1.058 . . . . 73.33 111.0 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.39 -56.83 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 64.2 110.512 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -147.22 128.45 14.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.274 -0.421 . . . . 72.44 110.809 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG22 HG21 ' A' ' 40' ' ' VAL . 34.9 t -98.25 147.83 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.529 -0.545 . . . . 63.52 109.529 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -137.94 126.43 23.44 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 74.04 109.889 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 mm -112.65 152.21 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.757 -0.46 . . . . 72.12 109.757 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 33.4 t-80 -133.17 149.06 52.07 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.974 0.416 . . . . 72.44 110.918 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.43 6.08 1.53 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.066 1.506 . . . . 71.54 115.066 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -59.44 139.18 57.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.18 0.514 . . . . 75.32 112.367 -166.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.5 p -75.09 178.57 5.58 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.881 -1.054 . . . . 73.01 111.983 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 7.3 tmm_? -56.9 143.32 38.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.099 -0.501 . . . . 70.34 111.081 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.442 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 27.5 m -135.4 176.28 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 64.31 110.988 -171.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.55 122.09 28.09 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.488 -0.56 . . . . 74.32 109.488 171.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.7 127.09 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 61.52 110.952 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.573 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 21.3 t70 -101.62 -49.62 3.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.017 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.37 144.14 4.14 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.904 -0.589 . . . . 52.42 112.696 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.48 112.03 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.133 -0.692 . . . . 64.33 109.133 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.704 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 10.8 pt-20 -162.68 133.52 4.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.187 0.518 . . . . 71.34 111.064 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.609 HG22 ' HB2' ' A' ' 68' ' ' ASN . 42.5 mm -72.35 86.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.555 0.693 . . . . 72.11 110.839 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.1 mtt180 -84.43 141.1 31.06 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.082 -0.963 . . . . 74.21 110.363 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.472 -0.785 . . . . 75.33 109.854 -179.458 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 1' ' ' MET . 26.8 ttt . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.115 0.483 . . . . 72.33 110.297 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.02 1.99 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.829 0.347 . . . . 63.04 111.475 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -129.26 88.24 2.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.411 -0.589 . . . . 73.32 109.411 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -53.08 115.43 1.87 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.015 0.436 . . . . 74.33 109.912 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -138.48 141.79 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.12 110.206 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -100.7 143.5 30.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 74.41 110.766 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -130.68 123.64 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 74.24 109.88 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -96.83 151.5 19.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.268 0.556 . . . . 75.44 111.788 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 59.2 mtt -140.5 132.03 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.201 -1.037 . . . . 63.23 108.201 169.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.56 174.26 31.46 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.493 -0.861 . . . . 74.43 113.045 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.5 p -78.65 126.27 30.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.397 0.279 . . . . 73.24 110.688 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 12' ' ' LEU . 6.1 mp -77.97 -11.36 59.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.917 0.389 . . . . 73.43 110.412 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -89.57 162.19 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 62.32 111.273 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.55 136.5 24.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.668 -0.696 . . . . 75.13 109.711 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.29 160.58 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 73.54 110.849 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.1 m -67.1 112.78 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 73.04 110.181 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -89.3 177.17 6.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 71.34 110.407 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.19 176.58 54.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.293 -0.48 . . . . 71.43 112.715 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.97 -21.22 32.82 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.703 2.269 . . . . 74.15 112.443 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 -126.3 7.54 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.116 -0.564 . . . . 74.25 112.179 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -162.74 -172.5 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.81 0.338 . . . . 73.2 110.239 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -125.79 153.05 44.6 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 122.907 0.483 . . . . 73.31 109.76 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -71.73 117.33 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.748 -0.205 . . . . 74.11 110.494 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 173.3 50.5 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.293 -0.479 . . . . 71.41 112.309 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.5 t -135.27 175.98 9.09 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.914 -0.402 . . . . 60.0 109.914 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.412 ' HG3' ' HD2' ' A' ' 27' ' ' PRO . 25.6 ttt -153.55 135.25 8.86 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.567 -0.288 . . . . 62.34 110.702 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.412 ' HD2' ' HG3' ' A' ' 26' ' ' MET . 84.6 Cg_endo -75.75 148.45 32.47 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.267 2.645 . . . . 74.34 112.413 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -87.3 108.68 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 70.24 110.386 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 p -100.46 98.91 9.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.058 -0.349 . . . . 73.11 110.058 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 p -79.15 73.63 5.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.727 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.62 113.23 8.44 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.558 -0.746 . . . . 62.5 109.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.85 -31.88 69.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.462 -0.335 . . . . 74.21 110.923 -173.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -113.65 97.56 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 107.843 -1.169 . . . . 64.33 107.843 168.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -76.16 111.62 11.77 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.622 -0.717 . . . . 74.34 110.295 -167.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.505 HG22 ' HG2' ' A' ' 79' ' ' GLN . 58.7 m -114.82 133.63 55.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.02 -0.991 . . . . 74.11 109.872 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -139.32 132.19 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 74.5 109.517 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 42.1 t -88.02 133.81 33.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.431 -0.581 . . . . 71.23 109.431 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.44 148.76 32.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.998 0.427 . . . . 74.21 110.925 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -151.62 113.76 4.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.203 -0.908 . . . . 74.33 109.09 171.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.56 136.08 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.421 -0.585 . . . . 72.44 109.421 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.599 HG21 ' HB3' ' A' ' 73' ' ' SER . 18.9 p -102.52 150.82 23.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.45 -0.574 . . . . 74.2 109.45 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 45' ' ' GLN . . . -107.59 155.93 16.09 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.014 -0.612 . . . . 41.4 111.839 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.577 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 23.5 tptm -64.3 -50.43 67.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.289 -0.634 . . . . 54.14 109.289 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.04 87.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.448 -0.796 . . . . 73.31 109.324 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HA3' ' A' ' 42' ' ' GLY . 46.6 mt-30 67.93 178.51 0.24 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.881 -0.6 . . . . 75.34 111.104 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.26 63.3 0.36 Allowed Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.021 -0.609 . . . . 52.52 112.542 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 m -81.28 80.42 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.602 0.715 . . . . 73.2 110.183 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HB2' HG21 ' A' ' 74' ' ' VAL . 17.7 t80 -92.39 134.88 34.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.508 -0.769 . . . . 74.42 110.835 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.7 84.32 0.07 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.905 0.859 . . . . 74.22 112.567 -178.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' HB3' HG12 ' A' ' 119' ' ' ILE . 11.4 ptp85 -52.21 -39.54 60.34 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 114.29 -1.323 . . . . 70.43 112.026 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 31.6 mmtp -61.44 -57.86 10.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.039 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -30.42 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 73.2 110.516 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 m -57.85 -51.27 70.28 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.515 0.674 . . . . 73.23 110.091 172.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -65.23 -33.26 75.57 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.232 -0.895 . . . . 52.34 110.386 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.11 -48.35 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 65.33 110.483 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -56.66 -53.73 54.31 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 121.39 0.614 . . . . 63.1 109.613 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' HB3' ' HE1' ' A' ' 88' ' ' PHE . . . -56.92 -47.85 79.63 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.19 -0.914 . . . . 74.43 111.283 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -66.44 -32.92 74.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.424 -0.353 . . . . 61.14 111.066 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.47 -47.34 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.144 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -99.68 4.67 45.68 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.228 0.455 . . . . 74.52 112.228 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t 68.16 38.81 2.53 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.086 0.555 . . . . 74.53 111.571 171.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.83 133.73 35.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.029 -0.73 . . . . 73.12 109.029 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 79' ' ' GLN . 32.6 m -109.27 166.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.539 -0.541 . . . . 63.31 109.539 175.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.93 -139.35 8.65 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.934 -0.867 . . . . 63.55 110.934 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.33 157.89 11.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.776 0.288 . . . . 74.34 110.679 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.78 143.87 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.535 -0.302 . . . . 72.34 110.273 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.2 t -151.69 161.76 42.14 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.128 0.893 . . . . 62.0 110.308 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.478 ' HB2' HG21 ' A' ' 119' ' ' ILE . 23.0 t-20 -96.37 156.2 16.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.891 -0.411 . . . . 73.4 109.891 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -125.46 160.38 29.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.383 -0.371 . . . . 74.0 110.515 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.15 -12.13 47.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.976 -0.556 . . . . 73.5 111.039 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' HB2' ' OG ' ' A' ' 73' ' ' SER . 3.0 m-20 -65.22 -15.63 62.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.347 174.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.99 19.53 61.0 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.226 -1.15 . . . . 64.4 110.226 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.599 ' HB3' HG21 ' A' ' 41' ' ' THR . 46.9 p -115.15 166.47 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.058 -0.571 . . . . 74.3 110.479 -176.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 48' ' ' PHE . 97.7 t -117.01 115.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.168 -0.679 . . . . 61.55 109.168 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -120.32 148.53 43.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.199 -0.455 . . . . 50.11 110.44 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.94 23.42 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.314 -0.714 . . . . 53.55 111.314 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -140.08 136.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.398 . . . . 74.14 109.927 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -112.13 141.6 27.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 108.97 -0.752 . . . . 73.44 108.97 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' HG22 ' A' ' 35' ' ' THR . 3.1 mt-30 -141.02 125.89 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.687 -0.486 . . . . 75.34 109.687 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.68 -164.87 36.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 120.9 -0.667 . . . . 73.2 111.967 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.462 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 28.6 Cg_endo -63.64 135.66 50.1 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.62 2.213 . . . . 73.32 111.548 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -29.89 43.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.43 -0.35 . . . . 71.14 111.907 -172.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.03 -50.48 55.16 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.451 -0.341 . . . . 53.44 111.062 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.462 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -67.27 -31.29 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 73.41 110.254 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.07 -39.72 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.935 0.398 . . . . 73.43 110.016 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.454 ' O ' HG13 ' A' ' 89' ' ' VAL . 17.8 t70 -62.55 -36.97 84.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 72.04 109.629 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.58 ' O ' ' HE3' ' A' ' 90' ' ' LYS . . . -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.778 -0.646 . . . . 62.15 110.448 174.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HE1' ' HB3' ' A' ' 57' ' ' ALA . 19.3 t80 -65.68 -47.11 76.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.387 -0.369 . . . . 74.13 110.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 86' ' ' ASP . 8.2 p -64.73 -34.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.407 -0.361 . . . . 71.34 110.289 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -53.38 -49.12 67.88 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 172.015 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.32 -43.94 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 72.24 110.925 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.8 95.16 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.335 -177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -66.6 -8.7 28.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.105 -0.498 . . . . 73.34 111.924 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.38 -32.54 24.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 75.41 109.94 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.09 179.36 21.31 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.658 -0.701 . . . . 31.54 113.012 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 99' ' ' SER . 3.8 p -75.28 141.08 73.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 122.282 0.233 . . . . 75.45 110.517 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.56 -55.85 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.937 2.425 . . . . 63.34 113.364 -173.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -94.93 -17.85 21.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.544 -0.298 . . . . 75.23 111.768 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.475 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 10.4 m -100.23 127.48 46.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.456 -0.338 . . . . 74.13 110.396 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.49 136.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.385 0.612 . . . . 75.45 110.687 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.65 149.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.723 -1.126 . . . . 73.33 109.965 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' A' ' 43' ' ' LYS . 5.8 tppp? -93.4 -54.71 3.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 64.2 110.352 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -162.06 144.83 11.61 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.283 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -113.61 135.52 52.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.53 -0.544 . . . . 63.52 109.53 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.6 m -137.61 140.65 41.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 74.04 110.337 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.2 mm -121.77 161.98 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 72.12 109.599 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t60 -142.29 147.92 37.19 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 72.44 110.652 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.69 1.16 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.199 1.185 . . . . 71.54 114.199 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 m -59.23 130.09 45.27 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.156 0.435 . . . . 75.32 111.846 -168.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.442 ' O ' HG11 ' A' ' 112' ' ' VAL . 23.1 t -78.2 178.66 7.42 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.379 -0.828 . . . . 73.01 111.785 -174.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -47.13 130.72 12.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.867 0.867 . . . . 70.34 112.449 -172.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.442 HG11 ' O ' ' A' ' 110' ' ' SER . 30.5 m -129.07 176.33 8.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.286 -0.87 . . . . 64.31 110.105 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.97 114.45 13.46 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 110.067 -0.346 . . . . 74.32 110.067 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.22 169.7 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.981 -0.554 . . . . 61.52 110.528 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.94 -44.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.069 -0.252 . . . . 74.33 111.002 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.85 154.97 8.2 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.075 -1.06 . . . . 52.42 113.634 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -97.59 112.19 24.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.173 -0.677 . . . . 64.33 109.173 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.2 pt-20 -162.08 137.75 7.49 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.05 0.452 . . . . 71.34 110.716 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 68' ' ' ASN . 23.5 mm -69.41 86.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.529 0.68 . . . . 72.11 110.183 -176.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.482 ' HG3' ' HG3' ' A' ' 118' ' ' GLU . 59.1 mtt180 -85.66 138.23 32.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.88 -1.054 . . . . 74.21 110.952 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.445 -0.788 . . . . 75.33 109.5 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.913 0.387 . . . . 72.33 110.351 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.02 128.13 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 63.04 110.936 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -80.96 101.99 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.127 -0.694 . . . . 73.32 109.127 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -56.93 144.59 33.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.0 -0.545 . . . . 74.33 112.232 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -161.69 179.07 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.272 -0.876 . . . . 72.12 109.076 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -64.82 143.35 58.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 74.41 111.255 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -144.1 103.77 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 74.24 109.911 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -133.37 132.46 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 75.44 109.994 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -144.59 163.81 32.81 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.33 -0.395 . . . . 63.23 110.812 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.01 132.68 10.53 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.368 -0.693 . . . . 74.43 111.368 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 m -93.65 161.76 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 73.24 110.267 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 tt -147.15 132.29 18.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.356 -0.609 . . . . 73.43 109.356 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -131.25 138.95 49.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 62.32 110.737 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 75.13 109.542 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -140.74 154.61 46.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 73.54 110.932 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -162.57 -176.11 4.84 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.059 -0.519 . . . . 73.04 109.953 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -127.26 175.99 7.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.829 0.347 . . . . 71.34 110.399 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.54 166.61 18.21 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.69 -0.686 . . . . 71.43 111.417 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -92.46 -154.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.077 2.518 . . . . 74.15 112.42 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.86 -170.93 19.75 Favored Glycine 0 CA--C 1.518 0.248 0 N-CA-C 111.608 -0.597 . . . . 74.25 111.608 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 m -147.51 177.4 9.28 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.853 0.326 . . . . 73.2 110.567 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 ptp -147.12 166.03 28.17 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.792 -0.447 . . . . 73.31 109.792 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 24' ' ' GLY . 22.0 tt0 -128.45 159.62 34.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.744 -0.207 . . . . 74.11 110.5 -176.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 23' ' ' GLN . . . -112.7 -168.7 17.51 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 111.947 -0.461 . . . . 71.41 111.947 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.2 m -152.9 147.88 26.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.725 0.262 . . . . 60.0 110.354 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 86.3 mtp -118.49 129.47 25.36 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.353 -0.385 . . . . 62.34 110.676 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.25 168.02 13.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.898 2.398 . . . . 74.34 112.255 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -94.78 164.53 12.9 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.504 -0.316 . . . . 70.24 110.754 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -89.55 139.57 30.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.741 0.305 . . . . 73.11 110.826 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 m -96.34 -30.92 13.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 75.4 110.924 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -81.08 90.43 6.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.065 0.459 . . . . 62.5 110.24 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -110.39 -31.45 7.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.413 0.625 . . . . 74.21 110.1 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.25 146.8 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.53 -0.759 . . . . 64.33 110.385 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -137.87 145.17 41.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 74.34 109.442 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -139.81 131.31 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 74.11 109.774 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.55 134.61 37.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.71 -0.478 . . . . 74.5 109.71 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.2 t -93.72 132.32 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.385 -0.598 . . . . 71.23 109.385 176.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 11.6 m-85 -111.85 150.89 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.201 0.524 . . . . 74.21 111.321 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -154.53 110.42 3.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.226 -0.897 . . . . 74.33 109.138 170.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.22 143.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.267 -0.642 . . . . 72.44 109.267 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.6 p -102.44 125.54 49.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.243 -0.435 . . . . 74.2 111.397 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.62 140.1 18.55 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.833 -0.907 . . . . 41.4 110.833 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -57.15 -56.52 20.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.116 0.484 . . . . 54.14 110.154 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 m -122.7 85.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.732 -0.667 . . . . 73.31 109.751 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.721 ' HA ' ' HA3' ' A' ' 72' ' ' GLY . 13.8 pt20 39.21 50.53 1.91 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.573 -0.739 . . . . 75.34 111.227 -175.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.16 144.29 49.25 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 114.914 -1.039 . . . . 52.52 113.44 -173.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -92.94 -174.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.782 -0.451 . . . . 73.2 109.782 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HB2' HG22 ' A' ' 74' ' ' VAL . 3.2 t80 -134.3 132.34 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.995 -0.372 . . . . 74.42 109.995 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -63.83 93.1 0.08 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.454 0.645 . . . . 74.22 112.508 -177.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.79 -39.0 57.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.209 -0.905 . . . . 70.43 111.342 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -52.08 -61.1 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.582 -0.735 . . . . 63.52 110.97 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -70.39 -29.44 66.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.469 -0.787 . . . . 73.2 111.196 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -62.22 -53.35 56.45 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 120.973 0.416 . . . . 73.23 110.2 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -64.31 -45.69 86.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.681 -0.69 . . . . 52.34 109.833 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -57.6 -52.2 66.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.434 -0.348 . . . . 65.33 111.03 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.77 -54.94 31.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.704 -0.68 . . . . 63.1 110.574 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -59.75 -42.2 92.66 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.059 -0.518 . . . . 74.43 110.959 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.1 -39.57 93.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 61.14 111.006 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.82 -50.03 46.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 73.43 111.169 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.3 -6.0 59.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.603 -0.271 . . . . 74.52 111.442 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m 67.68 51.41 0.82 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.241 0.543 . . . . 74.53 111.756 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -89.16 144.26 26.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.041 -0.527 . . . . 73.12 109.843 174.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.8 m -119.09 155.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.901 -0.407 . . . . 63.31 109.901 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.81 -133.86 4.72 Favored Glycine 0 C--O 1.236 0.23 0 N-CA-C 111.462 -0.655 . . . . 63.55 111.462 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.0 156.46 10.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.012 0.406 . . . . 74.34 111.036 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.2 t -138.65 149.74 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.781 -0.451 . . . . 72.34 109.781 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.597 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.9 t -158.55 161.82 37.34 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.179 0.924 . . . . 62.0 109.819 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.663 ' HB2' HG23 ' A' ' 119' ' ' ILE . 26.9 t-20 -114.03 136.6 52.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.761 0.315 . . . . 73.4 110.351 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.531 ' N ' HD21 ' A' ' 69' ' ' ASN . 0.8 OUTLIER -92.46 161.63 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 74.0 110.351 -179.434 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.59 -23.88 63.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.967 0.413 . . . . 73.5 110.559 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.05 -17.85 64.8 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 73.01 111.179 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.721 ' HA3' ' HA ' ' A' ' 45' ' ' GLN . . . 85.31 21.62 54.03 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.098 -0.801 . . . . 64.4 111.098 -172.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -108.47 132.42 53.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.807 -0.442 . . . . 74.3 109.807 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 48' ' ' PHE . 25.4 t -92.63 114.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.957 -0.386 . . . . 61.55 109.957 -178.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -118.18 161.07 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.584 -0.28 . . . . 50.11 110.713 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.21 -168.83 41.73 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.682 -0.567 . . . . 53.55 111.682 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 46.2 t -139.1 139.75 39.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.748 -0.464 . . . . 74.14 109.748 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.0 145.48 27.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.644 -0.502 . . . . 73.44 109.644 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 63' ' ' VAL . 2.8 mt-30 -138.84 146.03 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.471 -0.566 . . . . 75.34 109.471 -177.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.61 -170.34 29.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 73.2 111.868 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -62.5 149.54 90.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.443 2.096 . . . . 73.32 111.634 177.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.33 -48.19 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 71.14 111.445 -176.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -69.02 -33.95 74.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.521 -0.309 . . . . 53.44 111.588 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.542 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -74.14 -39.58 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 73.41 110.048 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.22 -36.13 74.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.515 -0.55 . . . . 73.43 109.515 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.506 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 31.0 t70 -63.87 -40.42 96.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 72.04 109.858 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.06 91.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 62.15 110.341 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 28.8 t80 -65.32 -42.62 92.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.442 -0.799 . . . . 74.13 111.497 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.454 ' HB ' ' OH ' ' A' ' 38' ' ' TYR . 10.0 p -68.51 -39.4 80.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 C-N-CA 120.837 -0.345 . . . . 71.34 110.668 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 86' ' ' ASP . 5.6 mptp? -60.76 -38.4 85.07 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.661 -0.496 . . . . 73.32 109.661 173.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' A' ' 88' ' ' PHE . 13.6 t80 -59.18 -43.51 92.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.807 -0.633 . . . . 72.24 110.492 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -33.49 76.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.969 -0.559 . . . . 60.14 110.239 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.92 -7.83 56.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.957 -0.565 . . . . 73.34 111.615 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.38 -45.05 73.78 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.818 -0.438 . . . . 75.41 109.818 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.75 148.55 5.76 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.725 -0.67 . . . . 31.54 112.02 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.55 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 51.1 m -78.64 126.41 82.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.082 -0.34 . . . . 75.45 110.082 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.34 -31.44 93.86 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.637 2.225 . . . . 63.34 112.546 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -95.34 -26.19 16.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.448 -0.342 . . . . 75.23 111.248 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.55 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.6 t -110.54 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 74.13 110.124 -175.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.13 129.68 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.105 -0.498 . . . . 75.45 110.892 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.78 149.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.93 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -98.3 -50.37 4.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.092 -0.504 . . . . 64.2 110.326 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 104' ' ' VAL . 22.8 tptm -158.74 138.38 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.527 -0.761 . . . . 72.44 110.158 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.434 ' O ' ' HE2' ' A' ' 103' ' ' LYS . 8.3 p -101.48 129.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.278 -0.638 . . . . 63.52 109.278 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -120.81 134.68 55.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.566 -0.531 . . . . 74.04 109.566 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -121.15 158.38 23.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 88.6 m-70 -139.84 154.54 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 72.44 110.813 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.22 5.99 24.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.753 -1.112 . . . . 71.54 113.559 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.9 m -59.73 134.42 57.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.15 0.5 . . . . 75.32 111.938 -167.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 m -71.77 178.16 3.79 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.003 -0.999 . . . . 73.01 112.164 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -47.0 138.75 6.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.587 -0.733 . . . . 70.34 112.664 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.2 176.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.868 -1.06 . . . . 64.31 109.293 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.49 120.82 28.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.022 -0.362 . . . . 74.32 110.022 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.26 141.13 55.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 61.52 111.152 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -124.14 -45.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 74.33 111.387 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.76 139.3 3.36 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.73 -0.748 . . . . 52.42 113.015 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -93.15 112.22 24.1 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.51 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 14.7 pt-20 -162.5 142.8 9.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.23 0.538 . . . . 71.34 110.938 175.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.663 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.4 mp -75.4 86.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.929 0.871 . . . . 72.11 108.753 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.597 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 44.3 mtt85 -72.39 135.9 45.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.347 -1.297 . . . . 74.21 110.752 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.656 -0.868 . . . . 75.33 108.656 178.531 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.755 0.312 . . . . 72.33 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.33 128.85 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 63.04 110.757 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.28 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.494 0.664 . . . . 73.32 109.486 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -79.69 73.59 6.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.679 -0.691 . . . . 74.33 110.613 -175.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 55.95 31.74 18.49 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.447 -0.797 . . . . 72.12 111.338 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -147.22 159.86 43.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.828 -0.624 . . . . 74.41 110.437 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -164.2 177.66 8.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.519 -0.764 . . . . 74.24 109.354 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -72.04 100.73 2.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 75.44 110.429 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.6 tpt -75.98 82.44 2.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.928 -0.578 . . . . 63.23 109.935 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.5 162.69 13.21 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.734 -0.666 . . . . 74.43 112.21 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -159.69 169.14 24.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.635 0.255 . . . . 73.24 110.577 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -115.92 173.49 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.431 . . . . 73.43 110.417 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.51 156.55 35.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.536 . . . . 62.32 109.881 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.78 138.8 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.182 -0.463 . . . . 75.13 109.86 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.19 94.44 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.406 0.622 . . . . 73.54 109.745 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.5 p -76.62 87.55 3.3 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.102 -0.954 . . . . 73.04 110.406 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -101.91 118.58 37.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.706 -0.679 . . . . 71.34 109.38 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.57 148.1 18.0 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 116.218 -0.446 . . . . 71.43 112.692 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.56 0.21 9.52 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.101 2.534 . . . . 74.15 112.07 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.77 92.53 0.54 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.972 -0.558 . . . . 74.25 111.803 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.5 t -144.76 78.36 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 73.2 109.486 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.2 mmt -90.78 110.77 21.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 73.31 109.907 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -131.22 142.42 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.014 -0.365 . . . . 74.11 110.014 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.47 -164.79 13.48 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.315 -0.469 . . . . 71.41 112.153 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.0 t -174.42 173.32 2.99 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.274 -0.269 . . . . 60.0 110.274 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.459 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 26.0 ptm -119.55 140.2 28.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 62.34 110.195 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 1.5 Cg_endo -85.16 170.01 9.75 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.165 2.576 . . . . 74.34 111.791 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.1 t -120.25 -169.87 1.87 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.255 -0.43 . . . . 70.24 110.014 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -151.38 174.6 13.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.052 -0.722 . . . . 73.11 109.052 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -150.76 168.25 24.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.808 0.337 . . . . 75.4 110.658 -177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -101.48 136.19 41.74 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.773 -0.648 . . . . 62.5 110.598 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.96 -24.62 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.21 109.901 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.29 134.39 27.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.427 -0.806 . . . . 64.33 110.583 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -125.84 155.42 41.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 74.34 109.595 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -147.54 129.2 15.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.596 0.236 . . . . 74.11 111.042 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' HG11 ' A' ' 78' ' ' VAL . 4.6 mp -147.6 150.62 34.79 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.25 -0.648 . . . . 74.5 109.25 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.669 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 70.0 m -92.41 141.65 28.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.721 0.295 . . . . 71.23 110.514 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.6 m-85 -112.94 139.97 48.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 74.21 110.682 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -150.09 113.17 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 74.33 109.697 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.42 ' HB ' HD11 ' A' ' 92' ' ' LEU . 7.6 p -113.36 143.49 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.311 -0.626 . . . . 72.44 109.311 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.551 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 27.0 p -107.06 155.17 20.13 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.35 -0.387 . . . . 74.2 110.01 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.29 160.94 13.55 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.335 -0.46 . . . . 41.4 112.234 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.5 -58.18 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.136 -0.69 . . . . 54.14 109.136 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.78 77.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.509 -0.769 . . . . 73.31 109.342 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 45.5 72.02 0.24 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.244 0.545 . . . . 75.34 110.689 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.48 108.57 2.26 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.374 -0.83 . . . . 52.52 113.343 -173.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -71.61 99.47 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.348 0.594 . . . . 73.2 109.698 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.659 ' HB3' HG12 ' A' ' 119' ' ' ILE . 10.8 t80 -75.39 127.17 32.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.087 -0.96 . . . . 74.42 110.042 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -61.14 85.51 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.678 0.622 . . . . 74.22 112.678 -177.326 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.645 ' HA ' HD11 ' A' ' 119' ' ' ILE . 3.2 ptp180 -52.39 -37.92 57.66 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.481 -0.781 . . . . 70.43 112.295 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -58.56 -49.71 76.44 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.712 0.292 . . . . 63.52 110.991 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -68.76 -31.65 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 73.2 110.54 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -60.11 -52.86 63.56 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.912 0.387 . . . . 73.23 110.521 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 49.7 mtpt -64.78 -40.2 94.86 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.896 -0.593 . . . . 52.34 110.2 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -58.77 -52.06 67.31 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.935 -0.575 . . . . 65.33 111.04 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.25 -53.71 48.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.808 -0.633 . . . . 63.1 110.418 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.49 84.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.651 -0.704 . . . . 74.43 110.839 -177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.89 -36.5 78.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 61.14 110.726 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.46 69.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.198 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.05 -4.65 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 74.52 111.217 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.1 t 68.52 40.12 1.99 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.835 0.35 . . . . 74.53 111.754 171.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.82 133.89 34.32 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.55 -0.537 . . . . 73.12 109.55 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -109.49 150.46 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.137 -0.69 . . . . 63.31 109.137 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.37 -135.8 5.25 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.764 -0.934 . . . . 63.55 110.764 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 145.4 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.492 0.646 . . . . 74.34 111.23 179.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -139.04 146.61 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 115.964 -0.562 . . . . 72.34 110.05 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.546 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.8 t -155.54 161.94 40.78 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 124.054 0.846 . . . . 62.0 109.413 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.807 ' HB2' HG22 ' A' ' 119' ' ' ILE . 3.6 t-20 -108.5 163.35 13.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.062 -0.347 . . . . 73.4 110.062 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.3 m-80 -130.71 141.9 50.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.989 -0.745 . . . . 74.0 108.989 177.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -58.92 -15.93 15.24 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.35 0.595 . . . . 73.5 110.371 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.92 -15.03 61.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.157 -0.928 . . . . 73.01 110.694 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.95 28.4 12.09 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.964 -0.562 . . . . 64.4 111.724 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -132.47 130.78 40.94 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.937 0.399 . . . . 74.3 110.902 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.3 t -101.49 117.68 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.094 -0.706 . . . . 61.55 109.094 174.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -127.94 155.51 44.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 50.11 111.621 -172.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.28 -166.34 38.28 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.966 -0.561 . . . . 53.55 112.075 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.524 HG23 ' SG ' ' A' ' 37' ' ' CYS . 48.8 t -133.09 139.69 48.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 122.62 0.368 . . . . 74.14 110.236 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.407 HG11 ' O ' ' A' ' 36' ' ' LEU . 9.9 p -115.07 136.4 51.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 109.675 -0.491 . . . . 73.44 109.675 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.477 ' HB2' HG22 ' A' ' 63' ' ' VAL . 2.8 mt-30 -139.69 140.78 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.395 -0.594 . . . . 75.34 109.395 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.54 -172.06 27.19 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.659 -0.576 . . . . 73.2 111.659 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.459 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.2 Cg_endo -56.22 126.92 23.94 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.569 2.18 . . . . 73.32 111.971 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.16 -31.96 2.69 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.883 0.698 . . . . 71.14 112.883 -176.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.542 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 6.3 pt-20 -70.42 -42.81 71.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.124 0.488 . . . . 53.44 110.994 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.459 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.2 mp0 -74.0 -29.76 62.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.894 -0.41 . . . . 73.41 109.894 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.44 -39.35 84.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.24 -0.652 . . . . 73.43 109.24 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.548 ' O ' HG11 ' A' ' 89' ' ' VAL . 23.3 t70 -64.18 -42.75 96.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.426 -0.807 . . . . 72.04 109.822 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.3 67.78 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.294 0.569 . . . . 62.15 110.466 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -69.3 -42.57 75.27 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.509 -0.769 . . . . 74.13 111.123 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.548 HG11 ' O ' ' A' ' 86' ' ' ASP . 8.8 p -66.17 -34.86 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 120.712 -0.395 . . . . 71.34 110.136 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 47.4 mmtm -59.67 -44.58 93.55 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.305 -0.628 . . . . 73.32 109.305 172.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -59.97 -44.73 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 72.24 110.72 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.42 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.91 -39.35 94.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 60.14 110.33 -177.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -61.84 -25.41 67.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.883 -0.598 . . . . 73.34 111.23 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.08 -30.38 70.88 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.122 0.487 . . . . 75.41 110.228 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.21 -168.65 47.69 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.596 -0.729 . . . . 31.54 113.039 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -72.85 148.32 89.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.957 -0.386 . . . . 75.45 109.957 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.48 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 34.1 Cg_endo -65.29 -52.1 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.269 1.979 . . . . 63.34 112.739 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.14 14.56 11.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.844 0.354 . . . . 75.23 111.353 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -123.14 145.85 48.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.651 -0.499 . . . . 74.13 109.651 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.76 129.39 39.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.515 -0.311 . . . . 75.45 110.987 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -81.24 149.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.31 175.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.551 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 17.9 ttmm -89.07 -55.06 3.83 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 64.2 109.533 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -167.63 143.95 4.16 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.867 -0.606 . . . . 72.44 110.093 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.48 141.59 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.871 -0.418 . . . . 63.52 109.871 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 m -137.79 137.58 38.34 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.943 -0.392 . . . . 74.04 109.943 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.7 mm -123.39 156.42 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.278 -0.638 . . . . 72.12 109.278 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 5.7 t60 -135.62 145.3 46.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.012 0.434 . . . . 72.44 111.004 -177.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.43 6.16 1.95 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.353 1.242 . . . . 71.54 114.353 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.669 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 56.8 m -59.28 146.34 39.78 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.412 0.625 . . . . 75.32 112.396 -166.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -82.41 178.41 8.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.737 -1.12 . . . . 73.01 112.37 -171.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.93 140.21 31.54 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 70.34 112.381 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.6 176.21 7.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.321 -0.854 . . . . 64.31 109.382 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.7 130.03 34.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.994 -0.373 . . . . 74.32 109.994 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.63 165.48 24.64 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.942 -0.572 . . . . 61.52 111.02 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.447 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 29.3 t70 -147.4 -45.66 0.17 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.909 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.98 137.98 3.15 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.932 -0.652 . . . . 52.42 113.073 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 31.0 m-85 -87.15 111.93 21.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.22 -0.659 . . . . 64.33 109.22 174.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.53 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.7 pt-20 -163.05 132.18 4.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 71.34 110.206 170.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.807 HG22 ' HB2' ' A' ' 68' ' ' ASN . 1.6 mp -65.03 87.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.613 0.721 . . . . 72.11 110.233 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.546 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.7 mtt180 -84.39 144.83 28.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.549 -1.205 . . . . 74.21 110.405 175.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.884 -0.598 . . . . 75.33 110.254 178.377 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.9 -0.407 . . . . 72.33 109.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.36 31.97 6.11 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.882 0.327 . . . . 63.04 111.882 -174.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -57.67 93.5 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.035 0.445 . . . . 73.32 111.155 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -119.27 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.144 -0.688 . . . . 74.33 109.144 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -79.92 81.23 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 72.12 109.891 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -58.66 118.55 5.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 74.41 110.949 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -121.03 151.58 39.63 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.4 -0.364 . . . . 74.24 110.35 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -110.61 119.93 40.77 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.533 -0.303 . . . . 75.44 110.405 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.68 ' HE3' ' HA ' ' A' ' 9' ' ' MET . 1.8 tpt -164.09 143.53 7.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 63.23 109.824 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.35 75.81 0.26 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.069 -0.586 . . . . 74.43 112.074 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.4 p -64.83 118.46 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.005 -0.368 . . . . 73.24 110.005 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 tp -73.71 99.76 3.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.38 -0.373 . . . . 73.43 110.529 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.86 172.79 14.59 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.82 -0.627 . . . . 62.32 110.528 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 88.29 0.33 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.367 -0.378 . . . . 75.13 111.841 -175.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -92.19 148.49 22.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.54 110.362 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -86.07 180.0 6.86 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.235 -0.439 . . . . 73.04 110.064 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.49 -166.93 2.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.615 -0.266 . . . . 71.34 110.36 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.6 -132.01 1.45 Allowed Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.668 -0.573 . . . . 71.43 111.668 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -90.76 -158.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.25 2.633 . . . . 74.15 111.228 177.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.55 163.7 34.71 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 111.677 -0.569 . . . . 74.25 111.677 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -79.33 76.34 5.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.266 0.555 . . . . 73.2 110.312 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -86.83 71.23 10.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.783 -0.644 . . . . 73.31 110.648 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -175.89 0.47 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.446 -0.797 . . . . 74.11 109.367 174.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.97 55.26 0.14 Allowed Glycine 0 C--N 1.328 0.113 0 C-N-CA 120.99 -0.624 . . . . 71.41 111.834 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -72.33 109.03 5.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.808 0.337 . . . . 60.0 110.457 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.419 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 54.3 mtt -132.63 108.68 13.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 62.34 110.069 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 26' ' ' MET . 18.0 Cg_endo -58.02 113.08 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.965 2.443 . . . . 74.34 112.148 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -89.33 114.88 26.35 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.974 -0.557 . . . . 70.24 110.672 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -58.02 115.2 2.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.875 -0.602 . . . . 73.11 110.572 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -143.19 173.53 11.5 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.093 -0.503 . . . . 75.4 111.105 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.37 138.93 44.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.664 -0.698 . . . . 62.5 111.727 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -70.02 -31.6 69.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.256 0.55 . . . . 74.21 109.855 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -114.85 99.75 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.939 -0.763 . . . . 64.33 108.939 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.3 m -104.1 122.14 44.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.334 -0.848 . . . . 74.34 109.94 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.521 HG21 ' HG2' ' A' ' 79' ' ' GLN . 88.6 m -109.98 123.07 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.895 -0.409 . . . . 74.11 109.895 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.2 mt -137.53 135.8 37.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.639 -0.504 . . . . 74.5 109.639 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 52.5 t -87.53 137.38 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.547 -0.538 . . . . 71.23 109.547 177.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.82 146.56 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.888 0.375 . . . . 74.21 110.003 -177.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -152.05 110.88 3.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 109.475 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -117.54 143.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.767 -0.457 . . . . 72.44 109.767 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.474 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 20.2 p -100.14 117.12 33.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.611 0.243 . . . . 74.2 110.546 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.796 ' HA3' ' HA2' ' A' ' 46' ' ' GLY . . . -88.16 103.43 2.93 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.025 -0.83 . . . . 41.4 111.025 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.37 -47.75 56.05 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 122.588 0.355 . . . . 54.14 111.385 -172.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.85 85.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.428 -0.351 . . . . 73.31 110.567 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 59.77 17.89 6.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.845 -0.616 . . . . 75.34 111.756 172.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.796 ' HA2' ' HA3' ' A' ' 42' ' ' GLY . . . 75.69 -74.01 1.6 Allowed Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.868 -0.682 . . . . 52.52 112.598 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 t 49.48 44.96 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.497 0.665 . . . . 73.2 110.352 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' HD2' HD11 ' A' ' 119' ' ' ILE . 24.5 t80 -78.95 137.79 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 74.42 110.258 -176.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.38 90.52 2.67 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.899 0.703 . . . . 74.22 112.899 -175.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.522 ' HB2' HG12 ' A' ' 119' ' ' ILE . 13.7 ttm180 -57.09 -54.34 47.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.485 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.92 -51.29 58.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 63.52 111.301 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -65.54 -40.2 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 73.2 111.156 -175.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -60.53 -47.25 86.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.787 0.327 . . . . 73.23 111.306 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -63.8 -43.45 96.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.189 -0.46 . . . . 52.34 110.267 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.56 -47.13 87.56 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.539 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.57 -56.01 27.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.56 -0.745 . . . . 63.1 110.506 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.56 70.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 74.43 110.51 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.75 -35.52 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 61.14 111.026 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -40.81 66.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.127 -0.488 . . . . 73.43 111.788 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.0 mt -101.5 5.26 41.81 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.99 0.367 . . . . 74.52 111.99 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m 68.39 32.6 4.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.047 0.539 . . . . 74.53 112.225 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 84' ' ' GLN . 2.8 mm? -81.72 133.65 35.37 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.5 -0.926 . . . . 73.12 108.5 170.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 79' ' ' GLN . 30.3 m -115.06 163.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.499 -0.556 . . . . 63.31 109.499 176.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 146.04 -141.52 9.73 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.15 -0.78 . . . . 63.55 111.15 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.49 152.67 22.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.914 0.357 . . . . 74.34 110.601 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.6 t -134.76 142.0 41.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 109.507 -0.553 . . . . 72.34 109.507 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.518 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 14.9 t -153.44 161.97 41.74 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.913 0.758 . . . . 62.0 110.282 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 3.2 t-20 -119.37 156.44 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.259 -0.645 . . . . 73.4 109.259 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 55.6 m-80 -132.74 167.04 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 74.0 110.821 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -54.99 -26.08 34.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.317 -0.856 . . . . 73.5 112.39 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.91 -12.46 59.51 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.272 -0.422 . . . . 73.01 111.638 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.64 5.92 81.02 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.06 -0.816 . . . . 64.4 111.06 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.6 p -95.65 135.99 36.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.049 0.452 . . . . 74.3 110.593 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 48' ' ' PHE . 59.2 t -101.11 118.1 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 61.55 109.25 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -117.94 170.78 8.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.343 -0.389 . . . . 50.11 109.994 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.7 -165.19 38.27 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.587 -0.605 . . . . 53.55 111.587 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.489 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 60.6 t -140.66 136.15 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.019 0.409 . . . . 74.14 110.269 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.48 135.07 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.285 -0.635 . . . . 73.44 109.285 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 35' ' ' THR . 2.0 mt-30 -137.04 127.34 26.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.711 -0.848 . . . . 75.34 108.711 -176.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.02 -163.42 31.39 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.408 -0.901 . . . . 73.2 112.862 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 15.5 Cg_endo -57.0 129.84 36.62 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.101 2.534 . . . . 73.32 112.102 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.58 -35.55 13.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 71.14 112.148 -175.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.522 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 7.4 pt-20 -70.35 -43.96 69.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.841 0.312 . . . . 53.44 111.841 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.529 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.3 mp0 -72.7 -33.05 66.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.494 0.188 . . . . 73.41 110.636 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 89' ' ' VAL . 95.5 t -61.71 -45.24 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.996 -0.742 . . . . 73.43 108.996 172.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.61 -46.04 81.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.259 -0.882 . . . . 72.04 109.369 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.78 85.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.089 -0.96 . . . . 62.15 111.014 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -67.41 -35.83 80.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 74.13 109.894 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.0 t -62.77 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.192 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.1 -29.61 69.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.862 -0.608 . . . . 73.32 110.528 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.75 -41.95 64.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.613 -0.721 . . . . 72.24 110.135 173.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -37.87 88.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 60.14 109.544 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.48 -4.66 23.84 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.453 -0.794 . . . . 73.34 111.796 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -73.4 -34.57 65.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.522 -0.547 . . . . 75.41 109.522 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 170.97 46.41 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.6 -0.727 . . . . 31.54 112.721 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 19.9 m -60.0 147.88 78.8 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 122.403 0.281 . . . . 75.45 110.449 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.2 -50.57 13.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.703 2.269 . . . . 63.34 112.966 -173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -113.33 -2.14 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 75.23 111.492 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.7 t -119.79 141.57 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.985 -0.376 . . . . 74.13 109.985 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.43 137.79 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 75.45 110.449 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 m -91.08 142.29 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.881 0.372 . . . . 73.33 110.136 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 23.6 tptm -91.05 -53.67 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 64.2 110.719 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -147.94 131.65 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.361 -0.381 . . . . 72.44 110.802 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.4 129.09 58.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 109.39 -0.596 . . . . 63.52 109.39 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 m -129.83 124.5 33.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.946 -0.39 . . . . 74.04 109.946 -173.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.9 mm -111.97 148.33 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 44.7 t-80 -132.94 151.75 52.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.208 0.527 . . . . 72.44 110.946 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.39 7.07 0.86 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.789 1.236 . . . . 71.54 114.188 -173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.0 m -59.27 141.48 54.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.251 0.548 . . . . 75.32 112.431 -162.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 m -74.42 174.77 8.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.042 -0.981 . . . . 73.01 112.109 -172.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.96 136.61 51.76 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.343 -0.844 . . . . 70.34 111.48 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 176.06 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.066 -0.516 . . . . 64.31 110.564 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.04 125.44 27.66 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.557 -0.534 . . . . 74.32 109.557 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -97.72 -167.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 61.52 112.131 -174.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 73.12 44.88 0.31 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.024 -0.989 . . . . 74.33 110.953 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.16 37.21 1.96 Allowed Glycine 0 CA--C 1.508 -0.382 0 CA-C-N 115.574 -0.739 . . . . 52.42 112.771 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -72.94 112.4 8.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.071 -0.565 . . . . 64.33 110.762 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.5 169.38 20.42 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.768 0.318 . . . . 71.34 110.179 173.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.522 HG12 ' HB2' ' A' ' 50' ' ' ARG . 40.7 mm -103.55 85.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.014 -1.106 . . . . 72.11 108.014 167.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.518 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 28.1 ttt180 -80.69 111.89 17.55 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.219 -1.355 . . . . 74.21 110.748 -174.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.323 -0.846 . . . . 75.33 109.379 176.112 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.864 -0.421 . . . . 72.33 109.864 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.09 18.5 1.04 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.865 0.364 . . . . 63.04 111.66 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -126.96 105.97 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 73.32 109.753 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -75.73 76.44 2.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.258 0.551 . . . . 74.33 110.224 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -87.57 106.54 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.477 -0.783 . . . . 72.12 110.209 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -84.71 146.89 27.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 74.41 109.725 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -80.73 58.24 3.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.106 0.479 . . . . 74.24 110.234 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -85.55 71.14 10.79 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.81 0.814 . . . . 75.44 110.128 178.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.5 tpt -175.69 103.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.537 -1.21 . . . . 63.23 108.667 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.59 -168.6 13.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.181 -0.533 . . . . 74.43 112.248 -175.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -80.93 155.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.841 0.353 . . . . 73.24 110.555 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.65 -11.77 61.14 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.987 -0.551 . . . . 73.43 112.477 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -92.82 100.39 12.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.035 0.445 . . . . 62.32 111.178 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.4 81.83 7.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 75.13 110.4 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -99.74 164.11 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 73.54 110.777 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m 68.93 -4.22 1.28 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.933 -0.576 . . . . 73.04 112.402 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -64.49 139.06 58.73 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.783 0.325 . . . . 71.34 110.879 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.18 161.8 19.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.223 -0.513 . . . . 71.43 112.068 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -95.42 -166.62 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.734 2.956 . . . . 74.15 112.022 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.72 -72.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.331 -0.707 . . . . 74.25 111.331 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -71.33 88.04 0.86 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.123 0.487 . . . . 73.2 109.901 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.3 mtp -73.69 82.12 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.48 -176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.54 66.41 9.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.454 0.645 . . . . 74.11 110.387 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.72 -137.32 3.24 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.806 -0.633 . . . . 71.41 112.373 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -142.73 157.44 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.242 -0.281 . . . . 60.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.4 mtm -85.08 155.1 60.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 62.34 109.891 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.65 -179.48 3.34 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 122.449 2.099 . . . . 74.34 112.266 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -52.9 139.73 26.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.146 -0.479 . . . . 70.24 110.792 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.9 m -56.6 94.28 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.327 0.584 . . . . 73.11 110.97 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -112.17 -3.13 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.552 -0.749 . . . . 75.4 110.734 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.8 61.51 1.5 Allowed 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.134 -0.691 . . . . 62.5 109.134 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.98 -31.74 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 74.21 110.279 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t -98.77 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.656 0.741 . . . . 64.33 109.479 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -81.55 134.09 35.46 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.937 -1.029 . . . . 74.34 110.113 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.3 m -125.55 130.15 51.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 74.11 110.246 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.6 mt -142.3 137.05 30.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 74.5 109.277 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.9 t -86.14 136.36 33.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.794 -0.447 . . . . 71.23 109.794 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -111.54 139.34 47.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.099 0.476 . . . . 74.21 110.644 -176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -151.5 111.03 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.473 -0.785 . . . . 74.33 109.567 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.73 139.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.984 -0.747 . . . . 72.44 108.984 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 p -91.33 128.26 37.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.782 -0.644 . . . . 74.2 110.646 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.1 122.28 7.51 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 116.034 -0.53 . . . . 41.4 111.846 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -64.06 -44.11 93.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.22 -1.03 . . . . 54.14 108.22 174.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG21 ' H ' ' A' ' 45' ' ' GLN . 11.6 p -122.91 178.12 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.469 -1.241 . . . . 73.31 107.972 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.488 ' H ' HG21 ' A' ' 44' ' ' VAL . 85.0 mm-40 -54.58 90.72 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.544 -0.539 . . . . 75.34 109.544 172.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.26 107.86 1.4 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.584 -0.734 . . . . 52.52 113.094 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 t -77.26 72.86 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.909 -0.774 . . . . 73.2 108.909 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.493 ' HD2' HD11 ' A' ' 119' ' ' ILE . 19.0 t80 -72.33 132.66 44.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.964 -1.017 . . . . 74.42 109.371 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 82.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.271 0.471 . . . . 74.22 112.271 -175.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.438 ' HG3' ' HA ' ' A' ' 118' ' ' GLU . 19.8 ttm180 -52.49 -45.32 66.14 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.884 -0.598 . . . . 70.43 110.772 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.41 -46.39 83.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.528 -0.76 . . . . 63.52 111.074 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 73.2 110.546 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 m -61.71 -37.43 84.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.158 0.504 . . . . 73.23 110.261 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -46.9 78.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.598 -0.728 . . . . 52.34 109.858 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.38 -52.25 66.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.828 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -57.41 11.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.555 -0.748 . . . . 63.1 110.278 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.373 -0.83 . . . . 74.43 111.242 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.78 -45.78 92.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.831 0.348 . . . . 61.14 110.804 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.61 -45.88 70.76 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.006 -0.543 . . . . 73.43 111.505 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 75.0 mt -79.41 -9.75 59.66 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.039 0.447 . . . . 74.52 110.683 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 68.19 42.03 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.309 -0.86 . . . . 74.53 111.932 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.78 133.46 35.64 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.685 -1.228 . . . . 73.12 107.685 165.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -114.98 172.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.121 -0.326 . . . . 63.31 110.121 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.69 -135.1 8.09 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.467 -1.053 . . . . 63.55 110.467 -175.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.23 152.19 7.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.315 0.558 . . . . 74.34 111.192 178.329 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.5 t -138.87 143.13 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.291 -0.413 . . . . 72.34 110.23 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.455 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 11.1 t -151.31 162.21 41.32 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.169 0.918 . . . . 62.0 110.293 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -105.46 123.77 48.44 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.602 -0.518 . . . . 73.4 109.602 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 68' ' ' ASN . 43.6 m-80 -76.72 150.04 36.31 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.983 -0.377 . . . . 74.0 109.983 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.16 -28.37 64.67 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.453 0.471 . . . . 73.5 112.052 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.11 -19.67 61.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.662 0.268 . . . . 73.01 110.664 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.26 -33.6 3.61 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 121.12 -0.562 . . . . 64.4 112.837 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -64.91 145.32 56.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.732 0.301 . . . . 74.3 111.695 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.67 138.46 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.936 -0.764 . . . . 61.55 108.936 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -143.36 166.64 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 50.11 111.144 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.03 -166.15 38.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.497 -0.641 . . . . 53.55 111.497 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -137.18 141.59 39.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.958 0.379 . . . . 74.14 110.017 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -118.29 143.34 29.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 123.622 0.576 . . . . 73.44 110.0 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 63' ' ' VAL . 1.2 mt-30 -143.07 140.91 31.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.154 -0.684 . . . . 75.34 109.154 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.1 30.1 Favored Glycine 0 CA--C 1.516 0.103 0 C-N-CA 120.656 -0.783 . . . . 73.2 112.627 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.7 Cg_endo -56.53 138.59 85.05 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.032 2.488 . . . . 73.32 111.413 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' HD2' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -68.19 -23.83 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 71.14 110.76 -169.581 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE2' ' HD2' ' A' ' 82' ' ' LYS . 1.9 pm0 -70.23 -40.58 74.39 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.289 0.566 . . . . 53.44 110.354 176.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.554 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -73.88 -32.15 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.657 -0.702 . . . . 73.41 110.285 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.03 -39.75 85.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.717 -0.475 . . . . 73.43 109.717 174.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 89' ' ' VAL . 12.2 t70 -62.21 -40.73 97.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.919 -0.582 . . . . 72.04 109.556 173.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.49 95.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.575 -0.739 . . . . 62.15 110.578 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.444 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 13.3 t80 -69.74 -47.11 64.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 74.13 110.517 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.9 p -64.33 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 71.34 110.398 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.57 -47.58 84.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 73.32 109.672 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.46 -41.85 86.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.047 -0.979 . . . . 72.24 110.8 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -34.28 76.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 60.14 110.271 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -61.04 -20.67 62.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.416 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -60.41 -42.73 96.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.012 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.23 -148.8 19.51 Favored Glycine 0 C--O 1.229 -0.197 0 CA-C-N 116.059 -0.519 . . . . 31.54 111.927 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 49.2 m -134.35 136.21 25.42 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 117.007 0.404 . . . . 75.45 110.729 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 2.9 Cg_exo -76.79 -36.06 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.646 2.23 . . . . 63.34 112.764 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -87.19 -16.57 34.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 75.23 111.641 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.6 m -137.72 147.94 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.694 0.283 . . . . 74.13 110.896 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.87 113.24 25.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.076 -0.511 . . . . 75.45 110.923 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -85.55 139.27 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.324 -0.621 . . . . 73.33 109.324 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.656 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -88.58 -45.88 9.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.532 -0.304 . . . . 64.2 110.843 -178.233 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -167.66 138.85 2.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.74 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.57 140.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.492 -0.558 . . . . 63.52 109.492 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.8 m -138.1 134.78 35.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 110.115 -0.328 . . . . 74.04 110.115 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mm -120.37 149.01 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.284 -0.636 . . . . 72.12 109.284 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 29.2 m170 -129.42 154.12 47.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.038 0.447 . . . . 72.44 110.798 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.79 6.08 2.19 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.558 1.143 . . . . 71.54 113.994 -171.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 m -59.76 130.29 46.08 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.415 0.626 . . . . 75.32 111.738 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 p -82.39 178.43 8.24 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.974 -1.012 . . . . 73.01 112.303 -171.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -42.89 125.52 3.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.835 -1.075 . . . . 70.34 112.978 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.68 176.25 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.633 -0.712 . . . . 64.31 110.23 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.91 133.04 33.97 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.503 -0.555 . . . . 74.32 109.503 173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.61 146.57 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.063 0.394 . . . . 61.52 112.063 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 10.4 m-20 -120.24 -53.54 2.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.023 -0.535 . . . . 74.33 110.429 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.36 149.57 5.1 Favored Glycine 0 C--O 1.238 0.355 0 C-N-CA 121.176 -0.535 . . . . 52.42 112.528 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -92.66 112.52 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.808 -0.441 . . . . 64.33 109.808 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.438 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 13.9 pt-20 -158.93 126.59 4.97 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.744 0.307 . . . . 71.34 110.343 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.493 HD11 ' HD2' ' A' ' 48' ' ' PHE . 38.3 mm -66.95 85.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 72.11 109.187 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.455 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 33.6 ttt180 -89.86 124.89 35.08 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.734 -1.121 . . . . 74.21 110.274 -175.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.697 -0.668 . . . . 75.33 109.601 177.095 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.97 0.891 . . . . 64.33 110.703 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.4 m -100.01 155.01 17.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.751 -1.113 . . . . 71.11 110.966 -173.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.4 m -148.71 131.83 16.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.509 -0.314 . . . . 74.11 110.504 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -144.1 145.18 31.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.626 -0.509 . . . . 70.33 109.626 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 78.3 m -85.77 138.35 32.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.056 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -111.88 144.25 41.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.628 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -155.2 111.64 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.27 -0.641 . . . . 74.33 109.27 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.437 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.9 p -115.11 145.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.365 -0.379 . . . . 72.44 110.264 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p -103.83 146.67 28.29 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.791 -0.818 . . . . 74.2 108.791 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.102 0 C-N-CA 120.252 -0.975 . . . . 41.4 113.321 -174.258 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' HB3' HG12 ' A' ' 119' ' ' ILE . 4.6 t80 . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 109.915 -0.402 . . . . 63.04 109.915 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.453 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -69.78 96.4 0.98 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.121 0.415 . . . . 70.11 112.121 -177.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.609 ' NH1' ' HB3' ' A' ' 118' ' ' GLU . 9.4 ttt85 -51.81 -28.91 17.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.056 -0.52 . . . . 70.43 110.439 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.16 -68.9 0.13 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.583 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -69.62 -30.65 68.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.506 . . . . 73.2 111.239 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.6 m -63.73 -51.05 66.69 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.924 0.393 . . . . 73.23 110.628 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -70.83 -37.21 73.18 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.737 -0.468 . . . . 52.34 109.737 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' A' ' 55' ' ' LYS . 8.5 mtpm? -57.54 -42.24 82.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.067 -0.346 . . . . 65.33 110.067 175.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.41 -53.47 56.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.907 -0.588 . . . . 63.1 110.054 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -60.12 -42.65 95.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.571 -0.741 . . . . 74.43 111.354 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -67.2 -38.34 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 61.14 110.826 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.64 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 73.43 111.084 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.63 -3.56 58.21 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.101 -0.499 . . . . 74.52 111.46 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t 68.38 42.43 1.63 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.914 0.388 . . . . 74.53 111.51 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.84 144.21 27.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.911 0.386 . . . . 73.12 110.312 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.9 m -120.76 161.94 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 63.31 109.284 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.47 -135.16 5.82 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.392 -0.683 . . . . 63.55 111.392 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.03 147.2 5.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.089 0.444 . . . . 74.34 111.307 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.3 t -138.81 145.29 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.486 -0.324 . . . . 72.34 110.617 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.671 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.7 t -156.77 161.8 39.77 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 62.0 110.422 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.719 ' HB2' HG23 ' A' ' 119' ' ' ILE . 57.3 t30 -94.65 154.4 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.662 -0.866 . . . . 73.4 108.662 173.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -118.18 158.75 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.676 0.274 . . . . 74.0 110.886 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.13 -21.92 66.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.92 -0.582 . . . . 73.5 109.728 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -19.61 66.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.567 -0.742 . . . . 73.01 110.199 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.3 -35.1 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.541 -0.754 . . . . 64.4 111.37 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.8 p -69.44 152.16 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.144 0.497 . . . . 74.3 111.726 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -102.25 119.24 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.102 -0.703 . . . . 61.55 109.102 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -120.95 172.22 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 50.11 110.89 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.73 -164.33 36.29 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.611 -0.596 . . . . 53.55 111.611 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -140.63 136.72 35.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 116.953 0.376 . . . . 74.14 110.039 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.7 t -112.14 136.69 47.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 O-C-N 123.559 0.537 . . . . 63.53 110.183 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.6 mt-30 -135.69 148.96 49.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 75.34 109.365 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.01 -170.61 28.63 Favored Glycine 0 CA--C 1.511 -0.196 0 N-CA-C 111.041 -0.824 . . . . 73.2 111.041 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 9.7 Cg_endo -54.13 142.49 66.36 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 121.99 1.793 . . . . 73.32 111.307 175.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -43.8 -51.99 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.463 -0.789 . . . . 71.14 111.16 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 5.9 pt-20 -70.71 -31.68 68.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 53.44 112.124 -171.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.561 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -73.06 -38.79 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 73.41 110.357 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -57.77 -41.61 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 108.736 -0.838 . . . . 73.43 108.736 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 8.0 t70 -57.75 -46.09 84.98 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.357 -0.838 . . . . 72.04 110.19 173.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.12 75.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.041 0.448 . . . . 62.15 110.519 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -69.49 -42.95 74.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.726 -0.67 . . . . 72.11 110.845 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 86' ' ' ASP . 7.4 p -67.72 -35.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 71.34 110.435 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 31.1 mmtp -64.63 -39.28 93.42 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.45 -0.574 . . . . 73.32 109.45 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -61.47 -42.46 98.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.728 -0.669 . . . . 71.31 109.857 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.437 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.74 -31.49 72.69 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.85 -0.614 . . . . 60.14 110.416 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -64.89 -29.19 70.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.997 0.427 . . . . 73.34 110.624 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.88 -35.97 20.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.966 -0.561 . . . . 75.41 109.779 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.37 -162.92 39.83 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.419 -0.809 . . . . 31.54 111.818 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.522 ' HB3' ' OG ' ' A' ' 99' ' ' SER . 15.4 t -81.78 140.55 47.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.644 -0.873 . . . . 75.45 108.644 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -48.58 -35.57 29.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.257 2.638 . . . . 63.34 113.59 -173.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.76 14.29 25.67 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.064 0.394 . . . . 75.23 112.064 -174.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 96' ' ' SER . 78.0 p -115.07 102.65 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.659 -0.497 . . . . 65.2 109.659 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.41 99.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 74.34 110.184 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.66 131.67 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.852 -0.613 . . . . 73.33 110.896 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -84.23 -57.97 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 64.2 110.401 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -153.7 137.44 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 72.44 109.87 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -100.44 140.52 19.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 109.959 -0.386 . . . . 63.52 109.959 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 m -137.74 121.99 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.92 -0.4 . . . . 74.04 109.92 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.0 mm -113.28 160.47 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.182 -0.673 . . . . 72.12 109.182 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 23.6 t-80 -139.31 144.52 38.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.145 0.498 . . . . 63.51 110.721 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 6.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.599 1.333 . . . . 71.54 114.599 -171.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.661 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.3 130.22 45.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.518 0.675 . . . . 75.32 111.628 -166.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.7 t -69.38 178.51 2.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.401 -1.272 . . . . 61.2 111.759 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -43.21 130.28 4.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.939 -1.028 . . . . 70.34 112.957 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.09 176.3 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.777 -1.102 . . . . 51.15 108.729 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -98.62 121.43 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.26 -0.274 . . . . 74.32 110.26 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.74 151.89 10.43 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.999 -0.546 . . . . 61.52 112.012 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -135.89 -38.21 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.363 -0.381 . . . . 74.33 111.59 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 144.85 142.32 3.84 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.585 -0.817 . . . . 52.42 113.49 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -93.69 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.516 -0.55 . . . . 64.33 109.516 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.609 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 11.5 pt-20 -162.79 120.35 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 71.34 111.088 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.719 HG23 ' HB2' ' A' ' 68' ' ' ASN . 2.1 mp -64.75 86.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.527 0.679 . . . . 71.13 110.017 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.671 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.5 mtt180 -78.31 139.02 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.044 -0.98 . . . . 61.44 110.255 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 115.414 -0.812 . . . . 75.33 109.696 -172.481 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 110.213 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -118.8 138.79 52.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 71.11 109.614 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -143.45 133.8 24.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.812 -0.44 . . . . 74.11 109.812 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.14 135.33 28.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 70.33 109.531 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 84.8 m -88.19 135.12 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.226 -0.657 . . . . 71.23 109.226 175.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.73 146.77 36.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.076 0.465 . . . . 74.21 111.007 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -153.47 110.77 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.491 -0.929 . . . . 74.33 108.491 169.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 p -120.12 148.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.939 0.399 . . . . 72.44 110.896 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 31.1 p -101.19 148.27 25.29 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.262 0 C-N-CA 120.893 -0.67 . . . . 41.4 112.926 -177.081 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.811 0.339 . . . . 63.04 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.48 ' HD2' ' HB3' ' A' ' 96' ' ' SER . 81.0 m-85 -97.84 116.19 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 70.11 109.366 173.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -49.26 -41.1 36.75 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.239 0.615 . . . . 70.43 111.48 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -63.1 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 63.52 110.983 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.11 -38.09 63.93 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.475 -0.33 . . . . 73.2 110.555 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -60.58 -47.07 87.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.158 -0.474 . . . . 73.23 109.916 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? -66.34 -42.82 87.58 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 115.804 -0.634 . . . . 52.34 110.683 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.96 -52.38 58.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.062 0.458 . . . . 65.33 110.509 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -62.27 -52.04 65.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.331 -0.85 . . . . 63.1 110.529 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.95 97.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.542 -0.754 . . . . 74.43 111.43 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.88 -46.32 72.03 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.929 0.395 . . . . 61.14 110.45 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.12 74.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.834 -0.621 . . . . 73.43 111.597 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.72 -11.58 50.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.248 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.7 m 67.84 51.9 0.76 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.353 0.596 . . . . 74.53 111.721 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.74 136.91 32.76 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.672 -0.694 . . . . 73.12 109.355 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 79' ' ' GLN . 22.8 m -111.29 158.78 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.195 -0.668 . . . . 63.31 109.195 175.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.62 -134.25 5.39 Favored Glycine 0 C--O 1.237 0.336 0 N-CA-C 110.852 -0.899 . . . . 63.55 110.852 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 151.34 6.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.087 0.444 . . . . 74.34 111.299 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.9 t -138.88 142.88 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 72.34 110.153 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 15.2 t -154.34 162.01 41.42 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 123.998 0.811 . . . . 62.0 110.436 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' HB2' HG23 ' A' ' 119' ' ' ILE . 12.0 t-20 -98.0 155.09 17.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.901 0.481 . . . . 73.4 111.075 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 13.5 m120 -117.24 161.05 20.11 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.198 -0.456 . . . . 74.0 110.413 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -53.5 -43.27 68.13 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.467 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.37 14.12 0.27 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.68 0.622 . . . . 73.01 112.68 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.11 33.82 61.96 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.281 -0.728 . . . . 64.4 111.281 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 69' ' ' ASN . 14.5 m -109.32 171.64 7.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.429 -0.386 . . . . 74.3 110.15 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.53 114.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.079 -0.711 . . . . 61.55 109.079 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.4 p -111.9 162.68 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 50.11 110.529 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.8 -166.21 38.45 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 53.55 112.502 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.405 HG22 ' SG ' ' A' ' 37' ' ' CYS . 57.9 t -138.16 137.27 44.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.832 -0.432 . . . . 74.14 109.832 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.56 138.58 45.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 109.493 -0.558 . . . . 63.53 109.493 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.9 mt-30 -138.57 134.4 33.78 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.787 -0.449 . . . . 75.34 109.787 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.93 -170.01 35.99 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.241 -0.744 . . . . 73.2 111.241 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.4 Cg_endo -65.51 146.89 86.06 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.143 1.895 . . . . 73.32 111.296 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -46.67 -46.92 20.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 122.951 0.5 . . . . 71.14 111.374 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -43.78 88.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.365 -0.379 . . . . 53.44 111.621 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.488 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.5 mp0 -74.44 -36.18 63.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.586 0.231 . . . . 73.41 110.816 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.05 -34.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.361 -0.607 . . . . 73.43 109.361 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 10.4 t70 -67.08 -39.86 86.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.138 -0.937 . . . . 72.04 109.957 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.27 91.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.229 0.538 . . . . 62.15 110.281 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -66.63 -50.42 63.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.343 -0.844 . . . . 72.11 110.538 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 86' ' ' ASP . 9.8 p -63.04 -35.0 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 71.34 109.989 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -60.27 -45.62 92.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.56 -0.745 . . . . 73.32 109.488 177.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -65.04 -39.4 93.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 71.31 110.275 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -40.11 91.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 60.14 110.389 -177.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.69 -28.78 67.59 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.206 0.526 . . . . 73.34 110.398 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -83.16 -37.54 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.457 -0.792 . . . . 75.41 109.48 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.58 -164.24 51.99 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.197 -1.161 . . . . 31.54 110.197 -169.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.617 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 69.1 m -71.52 135.14 84.02 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.403 -0.962 . . . . 75.45 108.403 171.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.02 -23.24 5.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.27 2.647 . . . . 63.34 114.575 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -117.79 10.2 13.19 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.077 0.399 . . . . 75.23 112.077 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 96' ' ' SER . 7.5 p -140.69 108.86 5.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.099 0.476 . . . . 65.2 110.355 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.3 t -77.48 138.59 20.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.715 -0.675 . . . . 74.34 111.48 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.3 m -91.05 146.21 6.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.559 . . . . 73.33 110.729 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 86.5 tttt -73.39 -53.14 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 64.2 110.333 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -168.16 140.18 2.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.038 -0.528 . . . . 72.44 110.397 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -98.79 148.53 6.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.85 0.357 . . . . 63.52 110.87 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 m -135.33 132.95 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.317 -0.623 . . . . 74.04 109.317 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.8 mm -125.5 153.25 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.655 0.265 . . . . 72.12 110.963 -173.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.6 m170 -132.65 153.99 50.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.802 0.334 . . . . 63.51 110.456 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.54 5.98 22.14 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.849 1.055 . . . . 71.54 113.849 -167.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.723 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.1 m -59.83 137.69 57.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.156 0.503 . . . . 75.32 111.974 -167.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -80.25 178.69 8.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.867 -1.061 . . . . 61.2 111.883 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.83 142.36 11.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.111 -0.949 . . . . 70.34 112.446 -172.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.28 176.29 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.681 -1.145 . . . . 51.15 109.183 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.16 131.65 35.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.629 -0.508 . . . . 74.32 109.629 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.9 153.74 30.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 61.52 111.786 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.39 -50.48 2.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.044 -0.525 . . . . 74.33 110.224 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 146.86 151.62 5.46 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.935 -0.65 . . . . 52.42 113.055 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -93.95 112.32 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.624 -0.51 . . . . 64.33 109.624 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.72 131.17 3.97 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.039 0.447 . . . . 71.34 110.634 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.443 HG23 ' HB2' ' A' ' 68' ' ' ASN . 36.4 mm -68.02 86.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.421 0.629 . . . . 71.13 110.579 -176.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.524 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 77.7 mtt180 -90.31 144.54 25.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.273 -0.876 . . . . 61.44 110.305 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.498 -0.763 . . . . 75.33 109.46 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 C--O 1.235 0.311 0 N-CA-C 108.305 -0.998 . . . . 64.33 108.305 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -76.85 111.12 12.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.452 . . . . 71.11 110.017 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 79' ' ' GLN . 55.8 m -118.1 126.26 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.543 -0.753 . . . . 74.11 110.431 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.06 134.9 28.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.889 -0.782 . . . . 70.33 108.889 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 44.1 m -87.0 138.29 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.008 -0.367 . . . . 71.23 110.008 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -111.79 140.04 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 74.21 110.303 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.8 ttp180 -149.31 114.68 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.246 -0.434 . . . . 74.33 109.894 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' HB ' ' A' ' 74' ' ' VAL . 9.9 p -111.57 142.0 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.021 -0.363 . . . . 72.44 110.021 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -106.67 133.77 50.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.724 -0.472 . . . . 74.2 109.724 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 101' ' ' VAL . . . . . . . . 0 C--O 1.235 0.21 0 C-N-CA 121.162 -0.542 . . . . 41.4 111.772 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' HB2' HG21 ' A' ' 74' ' ' VAL . 4.5 t80 . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 108.774 -0.824 . . . . 63.04 108.774 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -117.17 92.8 3.95 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.249 0.547 . . . . 70.11 111.644 -177.266 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -51.91 -42.26 62.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.088 -0.96 . . . . 70.43 111.279 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 39.1 ttmt -55.49 -54.04 48.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.638 -0.71 . . . . 63.52 111.139 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . 18.5 m-85 -74.35 -29.4 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 73.2 111.004 -174.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.9 m -64.14 -46.04 85.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.152 0.501 . . . . 73.23 109.821 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.04 -51.07 71.63 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.554 -0.748 . . . . 52.34 110.174 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 27.5 mtpp -59.53 -41.74 90.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 65.33 111.104 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.73 -55.73 27.1 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.128 0.49 . . . . 63.1 110.145 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.75 89.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.639 -0.709 . . . . 74.43 110.963 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.03 -37.77 84.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 61.14 110.735 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -49.71 21.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.978 -0.555 . . . . 73.43 111.587 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.23 -2.4 58.58 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.213 -0.448 . . . . 74.52 111.981 -175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.8 t 67.87 46.88 1.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.78 0.432 . . . . 74.53 112.006 173.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.38 133.91 45.27 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.679 -0.489 . . . . 73.12 109.679 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -111.88 164.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.507 -0.553 . . . . 63.31 109.507 175.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.59 -129.95 3.49 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.885 -0.674 . . . . 63.55 112.013 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 149.48 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.083 0.441 . . . . 74.34 111.365 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 37.1 t -138.85 147.88 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.556 -0.293 . . . . 72.34 110.358 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.1 t -160.67 161.93 32.49 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.666 0.604 . . . . 62.0 110.137 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.781 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.7 t-20 -95.34 154.01 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.793 -0.447 . . . . 73.4 109.793 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -125.99 146.7 49.77 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.509 -0.552 . . . . 74.0 109.509 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.28 -4.45 10.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.519 -0.309 . . . . 73.5 111.621 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.29 -2.42 24.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.494 -0.321 . . . . 73.01 110.746 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.48 39.97 20.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.91 -0.876 . . . . 64.4 110.91 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 p -143.32 151.24 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.401 -0.399 . . . . 74.3 110.603 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.8 t -110.21 124.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.099 -0.704 . . . . 61.55 109.099 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.4 t -129.91 156.36 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 50.11 110.948 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.53 35.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.003 -0.544 . . . . 53.55 111.961 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.7 t -136.36 137.84 47.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 122.458 0.303 . . . . 74.14 110.31 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.2 t -114.32 136.46 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 O-C-N 123.795 0.684 . . . . 63.53 109.729 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.464 ' HG2' HG23 ' A' ' 35' ' ' THR . 4.2 mt-30 -134.71 132.07 38.4 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.295 -0.631 . . . . 75.34 109.295 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.56 -159.45 31.32 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.2 -0.524 . . . . 73.2 111.952 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.6 Cg_endo -70.13 136.65 32.54 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.411 2.074 . . . . 73.32 111.455 174.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.672 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.0 -36.74 13.3 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.713 0.634 . . . . 71.14 112.713 -174.383 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.672 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 5.9 pt-20 -70.84 -39.69 72.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.635 0.235 . . . . 53.44 111.635 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.635 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.7 mp0 -75.02 -34.69 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.269 . . . . 73.41 110.367 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.39 -40.6 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.987 -0.746 . . . . 73.43 108.987 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.569 ' O ' HG12 ' A' ' 89' ' ' VAL . 20.5 t70 -64.98 -35.94 82.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.305 -0.862 . . . . 72.04 110.212 175.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.28 94.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.386 0.613 . . . . 62.15 110.073 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -68.29 -38.25 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 72.11 110.499 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 86' ' ' ASP . 6.4 p -69.37 -35.06 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.607 -0.437 . . . . 71.34 110.339 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.03 -47.18 83.88 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.666 -0.494 . . . . 73.32 109.666 171.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.405 ' HH ' ' HE1' ' A' ' 49' ' ' PHE . 10.9 t80 -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 71.31 110.546 174.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 60.14 110.589 -178.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -65.87 -21.43 66.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.335 -0.393 . . . . 73.34 111.254 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -72.25 -26.57 62.05 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.378 -0.601 . . . . 75.41 109.378 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.48 -82.71 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.424 -0.807 . . . . 31.54 112.578 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -154.42 113.67 2.45 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 75.45 109.972 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.55 -4.54 11.06 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 63.34 112.764 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -121.01 -1.11 9.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.492 -0.322 . . . . 75.23 110.977 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.4 m -144.94 -173.75 4.16 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.833 0.349 . . . . 65.2 111.351 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.0 t -120.09 127.73 75.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.99 -0.55 . . . . 74.34 110.554 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 24.2 m -105.33 132.76 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.61 -0.515 . . . . 73.33 109.61 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -74.76 -50.31 17.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 64.2 111.423 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.93 140.84 12.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.655 0.264 . . . . 72.44 111.536 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.97 141.82 16.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 63.52 109.793 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 m -137.81 144.58 41.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.643 -0.503 . . . . 74.04 109.643 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mm -124.84 157.02 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.577 -0.527 . . . . 72.12 109.577 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 35.4 t-80 -133.98 147.03 50.96 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.994 0.426 . . . . 63.51 110.346 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.85 6.36 4.09 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.51 1.3 . . . . 71.54 114.51 -169.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.772 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 58.4 m -59.95 130.47 46.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.412 0.625 . . . . 75.32 111.678 -169.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 t -72.84 178.89 3.95 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.821 -1.081 . . . . 61.2 110.819 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.653 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 5.8 tmm_? -46.31 145.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.629 -0.714 . . . . 70.34 112.183 -172.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.653 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 35.3 m -139.79 175.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.843 -1.071 . . . . 51.15 109.422 -177.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -89.03 122.11 32.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.663 -0.495 . . . . 74.32 109.663 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.62 131.95 50.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.439 -0.346 . . . . 61.52 110.468 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.44 -28.95 5.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.629 -0.259 . . . . 74.33 111.134 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.45 141.33 5.04 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.005 -0.617 . . . . 52.42 113.087 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.408 ' HA ' ' H ' ' A' ' 66' ' ' VAL . 32.2 m-85 -92.35 111.79 23.49 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.694 -0.854 . . . . 64.33 108.694 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.4 pt-20 -163.74 128.21 2.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 71.34 111.157 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.781 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.7 mp -68.45 88.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.507 0.67 . . . . 71.13 109.847 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.542 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.0 mtt180 -87.68 139.87 30.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.012 -0.995 . . . . 61.44 110.804 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.146 -0.93 . . . . 75.33 109.101 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.993 -0.743 . . . . 64.33 108.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 94.7 m -81.18 128.1 33.39 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.076 -0.965 . . . . 71.11 109.624 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 m -121.44 129.32 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 74.11 110.294 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.35 139.72 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 70.33 109.525 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.3 t -89.86 134.88 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.462 . . . . 71.23 109.751 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -111.8 143.77 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.6 0.36 . . . . 74.21 110.782 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.9 ttt180 -151.96 110.86 3.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.834 -0.621 . . . . 74.33 109.724 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.505 ' HB ' HD11 ' A' ' 92' ' ' LEU . 9.4 p -109.79 140.01 30.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.013 -0.736 . . . . 72.44 109.013 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 102' ' ' LYS . 8.8 m -107.81 149.63 28.0 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 116.372 -0.376 . . . . 74.2 110.088 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 111.154 -0.778 . . . . 41.4 111.154 178.15 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.629 ' HB3' HG12 ' A' ' 119' ' ' ILE . 20.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.047 0.451 . . . . 63.04 110.382 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.85 87.88 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.329 -0.851 . . . . 70.11 112.547 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' HB3' HD13 ' A' ' 119' ' ' ILE . 30.6 ptt180 -67.33 -23.15 65.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 115.572 -0.74 . . . . 70.43 110.815 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.17 -53.88 53.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.289 0.566 . . . . 63.52 109.874 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.78 -26.61 59.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.547 -0.751 . . . . 73.2 110.443 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -62.0 -43.02 99.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.148 0.499 . . . . 73.23 109.893 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.24 -48.6 77.53 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.471 -0.786 . . . . 52.34 109.562 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -52.62 -52.01 57.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.778 -0.646 . . . . 65.33 110.696 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.47 -56.65 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 63.1 110.925 -171.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -65.16 -36.55 84.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 74.43 111.127 -176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.16 -45.04 82.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.836 0.35 . . . . 61.14 110.645 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.27 -47.6 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.902 -0.59 . . . . 73.43 111.316 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.79 -11.05 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.904 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m 68.09 44.22 1.49 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.09 0.471 . . . . 74.53 111.598 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.8 mm? -78.78 134.02 37.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.654 -0.499 . . . . 73.12 109.654 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -105.79 154.1 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.055 -0.72 . . . . 63.31 109.055 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.72 -137.8 7.97 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.275 -0.73 . . . . 63.55 111.275 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.19 150.18 6.32 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.252 0.526 . . . . 74.34 111.386 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -138.68 146.75 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.521 -0.548 . . . . 72.34 109.521 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.453 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 13.5 t -156.63 162.14 39.87 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.034 0.834 . . . . 62.0 110.019 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.735 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.3 t-20 -103.81 164.55 11.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.915 -0.402 . . . . 73.4 109.915 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.458 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 32.8 m-80 -132.16 148.53 52.47 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.885 -0.413 . . . . 74.0 109.885 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.93 -16.19 27.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.31 0.576 . . . . 73.5 110.619 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.5 -18.92 65.69 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.242 -0.89 . . . . 73.01 110.933 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.06 25.16 20.55 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.207 -0.521 . . . . 64.4 112.038 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.3 p -132.77 146.12 51.57 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.939 0.399 . . . . 74.3 110.66 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 48' ' ' PHE . 57.2 t -102.31 122.26 54.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 61.55 109.352 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.4 p -125.3 155.43 40.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 50.11 110.93 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.83 -167.26 37.47 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.169 -0.772 . . . . 53.55 111.169 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -140.72 135.99 34.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.7 -0.481 . . . . 74.14 109.7 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.47 140.92 31.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.875 -0.417 . . . . 63.53 109.875 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.568 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -141.24 141.67 33.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 75.34 110.06 176.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.69 -165.46 32.54 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.158 -0.777 . . . . 73.2 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 13.7 Cg_endo -59.31 144.25 99.46 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.355 2.037 . . . . 73.32 111.855 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -48.26 -44.88 33.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 71.14 111.665 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.18 -33.71 72.09 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.541 -0.3 . . . . 53.44 111.688 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.551 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.1 -43.37 53.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 73.41 110.537 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.1 t -57.55 -44.42 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.028 -0.73 . . . . 73.43 109.028 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.94 -40.54 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.266 -0.879 . . . . 72.04 110.466 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.33 90.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.021 -0.536 . . . . 62.15 110.563 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.503 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.3 t80 -65.44 -39.6 92.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.86 -0.609 . . . . 72.11 109.829 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.6 t -58.97 -42.34 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.075 0.464 . . . . 71.34 110.149 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -60.47 -47.71 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.606 -0.724 . . . . 73.32 109.661 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.024 -0.989 . . . . 71.31 110.565 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.13 -41.77 99.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.75 -0.659 . . . . 60.14 110.398 -177.208 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -72.59 -14.2 61.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.985 -0.552 . . . . 73.34 111.582 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB2' ' NZ ' ' A' ' 94' ' ' LYS . 4.9 ttmp? -69.8 -31.57 69.55 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.376 -0.601 . . . . 75.41 109.376 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.81 179.96 52.1 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.617 -0.72 . . . . 31.54 112.913 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.7 m -82.78 129.86 60.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 109.904 -0.406 . . . . 75.45 109.904 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.62 -21.44 65.45 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.664 2.242 . . . . 63.34 112.912 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -121.33 10.57 10.6 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.542 0.21 . . . . 75.23 111.468 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -150.47 126.98 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 65.2 110.326 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.74 124.96 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 74.34 110.434 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.36 134.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 73.33 110.641 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 64.9 tttm -77.06 -35.11 56.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 64.2 109.633 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 4.1 ttmp? 179.66 142.95 0.15 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.521 -0.763 . . . . 72.44 110.211 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.06 134.48 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.461 -0.57 . . . . 63.52 109.461 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.9 m -135.72 131.54 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.262 -0.273 . . . . 74.04 110.262 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.7 mm -122.13 149.16 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.161 -0.681 . . . . 72.12 109.161 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 38.7 t-80 -132.72 151.69 51.92 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.118 0.485 . . . . 63.51 111.298 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.85 6.15 0.95 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.162 1.385 . . . . 71.54 114.624 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.8 m -59.58 130.28 46.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 0.549 . . . . 75.32 111.559 -165.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -74.83 178.88 5.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.954 -1.021 . . . . 61.2 111.938 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -42.47 120.84 1.78 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.233 1.013 . . . . 70.34 112.361 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.69 176.1 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.621 -0.718 . . . . 51.15 110.395 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.43 131.48 37.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.523 -0.547 . . . . 74.32 109.523 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.26 146.32 47.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.514 -0.312 . . . . 61.52 111.373 -176.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 20.7 t70 -131.96 -45.1 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.842 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.29 141.06 3.63 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.059 -0.591 . . . . 52.42 112.296 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -93.46 112.36 24.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.133 -0.321 . . . . 64.33 110.133 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 67' ' ' THR . 9.7 pt-20 -161.98 136.05 6.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 71.34 110.594 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.735 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -69.46 86.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.288 -1.005 . . . . 71.13 108.288 174.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.453 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 10.5 ttt85 -82.67 112.4 19.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.496 -1.229 . . . . 61.44 110.299 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.461 -0.781 . . . . 75.33 109.565 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--O 1.234 0.252 0 N-CA-C 109.323 -0.621 . . . . 64.33 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 m -92.12 152.72 19.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.277 -0.874 . . . . 71.11 110.286 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -142.99 131.5 22.34 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.353 -0.61 . . . . 74.11 109.353 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.52 140.77 33.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.653 -0.499 . . . . 70.33 109.653 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.1 t -87.09 133.58 33.6 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.263 -0.643 . . . . 71.23 109.263 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CE1' ' HB ' ' A' ' 78' ' ' VAL . 1.8 m-85 -111.58 139.32 47.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.098 -0.334 . . . . 74.21 110.098 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 28.8 ttt180 -156.66 111.06 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 74.33 109.883 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 HG22 ' A' ' 104' ' ' VAL . 14.4 p -108.04 149.75 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 72.44 110.259 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.4 p -113.23 120.83 42.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 74.2 109.83 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 111.015 -0.834 . . . . 41.4 111.015 175.171 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' ' 74' ' ' VAL . 2.3 t80 . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.705 0.288 . . . . 63.04 110.598 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.2 86.47 0.57 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.438 0.637 . . . . 70.11 111.966 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -48.5 -47.2 39.0 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.004 -0.998 . . . . 70.43 111.975 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -64.46 -36.99 85.98 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.451 -0.34 . . . . 63.52 111.307 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.91 -34.4 59.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.603 -0.271 . . . . 73.2 110.736 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.0 m -62.84 -42.11 99.61 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.325 0.583 . . . . 73.23 109.51 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -56.16 -56.52 19.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.077 -0.965 . . . . 52.34 110.047 175.246 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -52.92 -51.92 59.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.737 -0.665 . . . . 65.33 111.168 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.18 -59.47 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 63.1 110.877 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.91 93.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.684 -0.689 . . . . 74.43 111.072 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' HE2' ' A' ' 54' ' ' LYS . 29.0 t70 -66.11 -36.3 82.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 61.14 110.904 -177.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.52 -49.34 49.23 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.345 -0.389 . . . . 73.43 111.318 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.25 -4.4 59.16 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.505 -0.316 . . . . 74.52 111.264 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t 67.94 40.53 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.105 0.562 . . . . 74.53 111.348 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.12 133.68 37.81 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.585 -0.894 . . . . 73.12 108.585 170.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' A' ' 79' ' ' GLN . 32.1 m -110.9 156.21 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.734 -0.469 . . . . 63.31 109.734 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.63 6.24 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.906 -0.877 . . . . 63.55 110.906 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -166.96 149.13 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.236 0.518 . . . . 74.34 111.025 179.4 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -138.92 142.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.46 -0.336 . . . . 72.34 110.463 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -153.01 161.65 42.28 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.726 0.641 . . . . 62.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.461 ' HB2' HG23 ' A' ' 119' ' ' ILE . 14.9 t-20 -101.7 150.6 22.96 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.862 -0.422 . . . . 73.4 109.862 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.54 148.31 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.83 -0.433 . . . . 74.0 109.83 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.65 -22.45 5.11 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.612 0.57 . . . . 73.5 111.774 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.52 -11.72 46.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.85 -0.614 . . . . 73.01 111.537 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.34 0.02 82.94 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.942 -0.647 . . . . 64.4 111.903 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.7 p -103.35 132.6 49.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 110.137 -0.32 . . . . 74.3 110.137 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 48' ' ' PHE . 29.3 t -92.73 128.46 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.72 -0.845 . . . . 61.55 108.72 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.1 p -133.59 149.27 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.003 0.43 . . . . 50.11 111.905 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.02 -166.32 34.29 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.45 -0.796 . . . . 53.55 111.244 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.56 139.09 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.022 0.411 . . . . 74.14 110.1 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 72.4 t -117.57 141.91 34.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.757 -0.46 . . . . 63.53 109.757 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -145.32 149.43 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.156 177.666 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.93 -156.44 26.68 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 111.447 -0.661 . . . . 73.2 111.447 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.3 Cg_endo -64.68 131.62 30.08 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.453 2.102 . . . . 73.32 111.474 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -52.66 -27.69 18.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.333 -0.394 . . . . 71.14 111.478 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.0 -52.22 57.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.293 -0.412 . . . . 53.44 110.917 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.42 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -74.41 -35.47 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.702 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 89' ' ' VAL . 96.9 t -59.01 -44.47 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.472 -0.566 . . . . 73.43 109.472 173.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.84 -42.53 99.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.343 -0.844 . . . . 72.04 109.864 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.0 77.86 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.396 -0.82 . . . . 62.15 110.829 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.63 -34.74 74.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.742 -0.663 . . . . 72.11 109.832 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 85' ' ' VAL . 83.2 t -59.08 -50.74 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.173 -0.467 . . . . 71.34 110.468 174.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.78 -46.32 84.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.287 0.565 . . . . 73.32 109.702 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.27 -41.32 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.927 -1.033 . . . . 71.31 110.679 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -35.35 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 60.14 110.292 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -79.85 -11.36 59.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.671 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -76.73 -47.61 21.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.598 -0.519 . . . . 75.41 109.598 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.12 175.05 45.21 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.466 -0.788 . . . . 31.54 113.189 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 m -85.76 139.92 35.39 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 110.187 -0.301 . . . . 75.45 110.187 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.17 -44.26 50.98 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.223 2.615 . . . . 63.34 113.055 -174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -72.37 -26.38 61.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.815 0.34 . . . . 75.23 111.286 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.6 t -109.3 177.28 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 65.2 111.706 -169.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.56 121.44 50.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.312 -0.858 . . . . 74.34 108.984 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.0 m -71.89 112.41 7.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.496 0.665 . . . . 73.33 110.267 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.48 -45.24 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 64.2 110.565 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -160.18 121.34 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 72.44 110.551 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 40' ' ' VAL . 63.1 t -91.31 139.73 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.885 -0.783 . . . . 63.52 108.885 173.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.6 m -137.08 122.52 19.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 74.04 110.189 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 mm -116.83 145.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.86 -0.793 . . . . 72.12 108.86 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 13.9 t-80 -128.89 152.7 48.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.361 0.6 . . . . 63.51 111.422 -175.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.58 0.92 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.878 1.271 . . . . 71.54 114.299 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.1 m -59.18 135.41 57.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.476 0.655 . . . . 75.32 111.998 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.1 p -72.12 178.33 3.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.585 -1.189 . . . . 61.2 112.488 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -54.02 134.48 43.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.438 -0.801 . . . . 70.34 112.01 -174.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.04 175.89 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.489 -0.778 . . . . 51.15 109.715 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -84.61 139.94 31.72 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.711 -0.477 . . . . 74.32 109.711 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.28 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 61.52 110.643 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 26.7 t70 -144.46 -47.84 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.572 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.86 143.83 4.06 Favored Glycine 0 C--O 1.239 0.409 0 C-N-CA 120.824 -0.703 . . . . 52.42 112.955 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -91.57 111.49 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.596 -0.89 . . . . 64.33 108.596 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.31 129.04 3.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.746 0.308 . . . . 71.34 110.505 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 41.6 mm -66.96 86.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.446 0.641 . . . . 71.13 110.799 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.565 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 50.6 mtt180 -79.24 144.59 34.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.831 -1.077 . . . . 61.44 110.126 175.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.957 -0.565 . . . . 75.33 109.653 179.236 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.571 -0.529 . . . . 64.33 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.7 m -77.12 128.8 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.72 -0.673 . . . . 71.11 110.182 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 79' ' ' GLN . 93.1 m -124.12 132.11 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.343 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -144.24 134.35 24.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 70.33 109.409 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 50.2 m -87.22 138.51 31.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.953 -0.388 . . . . 71.23 109.953 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.87 144.8 40.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.989 0.423 . . . . 74.21 111.485 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -152.63 110.69 3.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.38 -0.827 . . . . 74.33 109.253 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.85 148.84 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.183 -0.462 . . . . 72.44 109.925 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -110.04 148.9 30.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.324 -0.398 . . . . 74.2 110.462 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.244 0 C-N-CA 121.239 -0.505 . . . . 41.4 111.864 178.477 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.504 ' HB3' HG12 ' A' ' 119' ' ' ILE . 28.3 t80 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 108.712 -0.847 . . . . 63.04 108.712 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.481 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -58.02 82.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.932 0.715 . . . . 70.11 112.932 -174.64 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HB2' HD13 ' A' ' 119' ' ' ILE . 55.0 ttp180 -58.14 -30.68 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.179 -0.919 . . . . 70.43 111.356 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -52.0 67.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.146 0.498 . . . . 63.52 110.403 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -78.5 -24.26 45.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.2 110.894 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -63.8 -45.9 87.6 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.454 -0.572 . . . . 73.23 109.454 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.63 -50.57 72.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.436 -0.802 . . . . 52.34 110.031 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -52.79 -52.21 57.69 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.233 -0.44 . . . . 65.33 111.08 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.31 -59.99 4.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 63.1 110.736 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.69 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 74.43 111.414 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -73.77 -40.95 63.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.885 0.374 . . . . 61.14 110.64 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.29 71.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.12 -0.491 . . . . 73.43 111.133 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 61.0 mt -90.85 -10.04 44.15 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.257 -0.429 . . . . 74.52 111.752 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m 68.59 45.82 1.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.257 -0.429 . . . . 74.53 111.762 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.19 133.67 34.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.659 -0.867 . . . . 73.12 108.659 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.3 m -112.6 161.02 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.883 -0.414 . . . . 63.31 109.883 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.93 -132.06 4.38 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.251 -0.74 . . . . 63.55 111.251 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.15 148.21 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.199 0.499 . . . . 74.34 111.057 178.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -138.94 144.79 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.246 -0.434 . . . . 72.34 110.383 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -156.2 161.9 40.24 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.813 0.845 . . . . 62.0 109.48 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.46 ' HB2' HG23 ' A' ' 119' ' ' ILE . 9.6 t30 -120.24 159.48 24.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.788 0.327 . . . . 73.4 110.621 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -127.54 162.59 26.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 74.0 110.388 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.54 -26.14 12.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.771 -0.65 . . . . 73.5 112.285 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.37 -3.31 16.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.548 -0.297 . . . . 73.01 111.178 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.47 67.71 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.004 -0.838 . . . . 64.4 111.004 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.6 p -103.52 130.32 50.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.357 -0.421 . . . . 74.3 110.813 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.25 115.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -123.12 153.68 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.386 -0.37 . . . . 50.11 110.967 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.48 -159.67 31.41 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.777 -0.529 . . . . 53.55 111.777 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.5 t -140.58 140.62 33.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.936 -0.394 . . . . 74.14 109.936 178.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.92 142.75 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.36 -0.607 . . . . 63.53 109.36 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.7 mt-30 -143.51 135.5 26.69 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.458 -0.571 . . . . 75.34 109.458 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.11 -163.7 32.96 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.845 -0.693 . . . . 73.2 112.253 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.2 Cg_endo -66.34 136.17 42.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.37 2.046 . . . . 73.32 110.982 177.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -20.87 35.26 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.714 0.265 . . . . 71.14 111.714 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.88 -51.74 56.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.438 0.637 . . . . 53.44 110.327 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.553 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.6 mp0 -75.24 -30.71 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.248 -0.887 . . . . 73.41 110.853 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.36 -40.11 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.401 -0.592 . . . . 73.43 109.401 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.535 ' O ' HG12 ' A' ' 89' ' ' VAL . 14.0 t70 -59.98 -47.35 86.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.874 173.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.54 -43.26 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.39 -0.823 . . . . 62.15 110.751 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -67.69 -44.95 76.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.461 -0.791 . . . . 72.11 111.063 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.1 p -64.79 -37.63 80.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.749 0.309 . . . . 71.34 110.333 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.37 -42.59 92.55 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.798 0.332 . . . . 73.32 110.181 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -56.6 -40.75 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 71.31 109.992 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -35.25 76.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.451 -0.795 . . . . 60.14 110.3 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -62.52 -22.46 66.31 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.997 -0.547 . . . . 73.34 111.119 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -73.86 -57.41 4.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.912 0.387 . . . . 75.41 110.121 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.48 33.01 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.864 -0.607 . . . . 31.54 112.68 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.759 ' HB3' ' HB3' ' A' ' 99' ' ' SER . 33.4 t -90.1 141.41 27.85 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 109.57 -0.53 . . . . 75.45 109.57 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.18 -44.83 40.45 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.016 2.477 . . . . 63.34 113.045 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -102.85 5.18 38.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.401 -0.363 . . . . 75.23 111.267 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.759 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.7 t -134.6 81.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.121 -0.696 . . . . 65.2 109.121 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.3 129.89 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.183 -0.917 . . . . 74.34 109.925 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.17 122.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.516 0.674 . . . . 73.33 111.45 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -73.33 -45.56 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.251 -0.886 . . . . 64.2 108.774 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -168.25 137.79 2.47 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.921 -1.036 . . . . 72.44 109.646 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.89 139.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.032 -0.358 . . . . 63.52 110.032 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.3 m -135.72 132.78 37.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.084 -0.339 . . . . 74.04 110.084 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -120.45 151.99 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.677 -0.49 . . . . 72.12 109.677 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 49.1 t-80 -130.48 147.62 52.2 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.015 0.436 . . . . 63.51 110.808 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.95 5.51 6.45 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.657 1.355 . . . . 71.54 114.657 -168.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.707 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 61.5 m -59.65 130.21 45.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.429 0.559 . . . . 75.32 112.003 -170.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.2 t -74.29 178.81 4.9 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.286 -0.87 . . . . 61.2 111.487 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -42.79 131.32 4.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.405 -0.816 . . . . 70.34 112.94 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.37 176.31 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.305 -0.861 . . . . 51.15 109.85 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.33 120.89 27.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.338 -0.245 . . . . 74.32 110.338 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.71 155.07 39.05 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.871 0.367 . . . . 61.52 111.387 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 31.5 t70 -133.47 -48.6 0.83 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.876 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.16 144.3 3.91 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.995 -0.622 . . . . 52.42 113.048 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -91.44 112.4 24.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.572 -0.529 . . . . 64.33 109.572 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 9.9 pt-20 -162.86 125.33 2.69 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.972 -0.291 . . . . 71.34 110.95 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 50' ' ' ARG . 1.7 mp -63.76 87.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 71.13 109.838 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 87.0 mtt180 -84.86 144.67 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.524 -1.216 . . . . 61.44 111.086 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.494 -0.775 . . . . 75.33 109.014 174.647 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.74 -0.467 . . . . 64.33 109.74 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -86.1 110.81 19.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.142 -0.481 . . . . 71.11 109.987 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 79' ' ' GLN . 85.6 m -119.23 124.43 46.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.76 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 35' ' ' THR . 3.3 mm? -134.29 135.98 43.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.853 -0.795 . . . . 70.33 108.853 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.82 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 36.6 m -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.637 -0.505 . . . . 71.23 109.637 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.64 147.66 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.323 -0.399 . . . . 74.21 111.067 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -157.56 110.78 2.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.419 -0.809 . . . . 74.33 109.346 168.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.39 146.59 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.305 -0.407 . . . . 72.44 109.935 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.1 t -114.15 152.51 31.04 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.301 0.572 . . . . 74.2 110.968 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 CA-C-N 115.08 -0.964 . . . . 41.4 112.419 -176.444 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.092 -0.707 . . . . 63.04 109.092 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -60.47 80.92 0.01 OUTLIER 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.753 0.649 . . . . 70.11 112.753 -176.281 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HB2' HG12 ' A' ' 119' ' ' ILE . 31.5 ttp180 -56.14 -42.63 77.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.422 -0.808 . . . . 70.43 111.032 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.36 -52.09 65.88 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.91 -0.586 . . . . 63.52 111.148 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.38 -32.89 64.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.878 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -64.34 -45.7 86.71 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.035 0.445 . . . . 73.23 110.791 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.41 -40.31 77.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 52.34 109.987 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.38 -44.88 84.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.412 0.625 . . . . 65.33 110.175 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.08 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.084 -0.962 . . . . 63.1 110.001 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.08 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.318 -0.855 . . . . 74.43 111.416 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.82 -45.49 92.19 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.511 . . . . 61.14 110.71 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.12 43.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 73.43 111.494 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.8 -4.0 58.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.343 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 67.88 44.61 1.52 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.981 0.513 . . . . 74.53 112.225 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.57 133.88 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.528 -0.545 . . . . 73.12 109.528 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -111.94 160.73 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.294 -0.632 . . . . 63.31 109.294 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -135.27 6.22 Favored Glycine 0 CA--C 1.507 -0.413 0 N-CA-C 110.482 -1.047 . . . . 63.55 110.482 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.23 158.44 11.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.222 0.511 . . . . 74.34 111.349 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' ' HA ' ' A' ' 117' ' ' PHE . 5.5 t -138.69 148.98 23.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.784 -0.45 . . . . 72.34 109.784 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -154.9 161.68 41.35 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 124.437 1.085 . . . . 62.0 109.781 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.542 ' HB2' HG23 ' A' ' 119' ' ' ILE . 15.2 t-20 -95.51 155.6 16.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.789 0.328 . . . . 73.4 110.786 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -121.14 146.37 46.83 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.741 -0.837 . . . . 74.0 108.741 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.88 -13.43 62.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.291 0.567 . . . . 73.5 109.878 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.69 -10.4 36.16 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.53 -0.759 . . . . 73.01 111.09 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.6 26.33 39.19 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 110.817 -0.913 . . . . 64.4 110.817 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -127.21 146.96 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.24 -0.48 . . . . 74.3 110.475 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.23 121.28 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.35 -0.611 . . . . 61.55 109.35 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -117.95 161.33 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 50.11 110.839 -175.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.23 -165.41 38.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.221 -0.514 . . . . 53.55 111.94 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 44.2 t -140.62 140.2 34.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.826 -0.435 . . . . 74.14 109.826 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.77 140.39 41.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 109.287 -0.634 . . . . 63.53 109.287 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.8 mt-30 -141.93 132.16 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.489 -0.56 . . . . 75.34 109.489 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.32 33.9 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.928 -0.469 . . . . 73.2 111.928 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.85 136.24 34.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.697 2.265 . . . . 73.32 110.96 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -55.02 -22.66 16.26 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.368 0.507 . . . . 71.14 112.368 -172.183 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.18 -51.25 32.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.145 0.498 . . . . 53.44 110.178 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.63 -33.01 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 73.41 109.998 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.8 t -60.35 -43.44 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.263 -0.643 . . . . 73.43 109.263 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.51 -37.78 87.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.042 -0.526 . . . . 72.04 110.183 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.72 87.86 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.245 0.545 . . . . 62.15 110.135 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -70.74 -36.85 73.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.324 -0.853 . . . . 72.11 110.278 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.9 t -62.18 -47.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.79 -0.448 . . . . 71.34 109.79 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 55.5 tptt -57.45 -44.11 84.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 73.32 109.922 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.748 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 57.4 t80 -61.77 -38.89 89.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.732 -0.667 . . . . 71.31 110.431 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -42.51 85.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 60.14 110.117 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -65.88 -25.22 67.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.954 -0.566 . . . . 73.34 110.878 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.748 ' HD3' ' HA ' ' A' ' 91' ' ' TYR . 53.8 mtpt -63.46 -46.51 85.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.704 -0.48 . . . . 75.41 109.704 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.03 -179.35 38.92 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.662 -0.699 . . . . 31.54 112.862 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 99' ' ' SER . 41.6 t -72.51 145.94 88.19 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.273 -0.269 . . . . 75.45 110.273 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 18.4 Cg_exo -67.09 -24.18 45.22 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.69 2.26 . . . . 63.34 112.312 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.56 -26.58 7.01 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.203 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 96' ' ' SER . 4.4 m -101.96 99.72 9.93 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.815 -0.439 . . . . 65.2 109.815 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 60.2 t -73.24 134.2 30.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.368 -0.378 . . . . 74.34 109.994 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.55 149.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 73.33 110.776 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -97.63 -36.84 10.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 64.2 110.267 177.603 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -169.26 138.01 1.99 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.672 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 p -106.67 133.87 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 63.52 109.683 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.4 m -128.92 120.4 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.63 -0.507 . . . . 74.04 109.63 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 36' ' ' LEU . 21.6 mm -111.11 154.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.211 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.5 m-70 -126.53 145.81 50.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.919 0.39 . . . . 63.51 110.559 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 5.71 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.342 1.057 . . . . 71.54 113.324 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.82 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 51.4 m -59.95 138.59 57.8 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.179 0.514 . . . . 75.32 112.06 -168.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 112' ' ' VAL . 14.9 p -81.28 178.75 8.2 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.969 -1.014 . . . . 61.2 112.692 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -44.21 132.4 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.161 0.985 . . . . 70.34 112.933 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 110' ' ' SER . 35.6 m -132.18 176.06 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.616 -0.72 . . . . 51.15 110.546 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -76.74 123.5 26.27 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.013 -0.366 . . . . 74.32 110.013 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.59 138.91 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 61.52 111.201 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 -52.23 2.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 74.33 110.555 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.03 146.4 4.31 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.023 -0.535 . . . . 52.42 112.412 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.425 ' HA ' ' N ' ' A' ' 66' ' ' VAL . 13.7 m-85 -90.31 112.07 23.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.181 -0.674 . . . . 64.33 109.181 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 10.0 pt-20 -154.52 169.78 22.99 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.587 -0.445 . . . . 71.34 110.844 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.611 HG12 ' HB2' ' A' ' 50' ' ' ARG . 33.6 mm -100.95 86.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.496 0.665 . . . . 71.13 109.906 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.494 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 51.7 mtt85 -80.4 140.72 35.89 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.872 -1.058 . . . . 61.44 109.955 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.785 -0.82 . . . . 75.33 108.785 178.693 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 107.98 -1.119 . . . . 64.33 107.98 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.6 m -76.86 124.46 27.76 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.901 -1.045 . . . . 71.11 110.122 -171.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 79' ' ' GLN . 91.2 m -121.88 126.33 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.75 -0.659 . . . . 74.11 109.863 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -140.7 133.15 28.47 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.26 -0.644 . . . . 70.33 109.26 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 29.9 t -85.29 137.89 32.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.829 -0.434 . . . . 71.23 109.829 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.46 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 5.1 m-85 -111.32 145.64 38.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.845 0.355 . . . . 74.21 110.634 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -154.97 110.81 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 74.33 109.676 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 103' ' ' LYS . 10.6 p -119.05 145.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.73 -0.47 . . . . 72.44 109.73 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 p -107.73 118.9 37.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.368 . . . . 74.2 110.395 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 C-N-CA 120.962 -0.637 . . . . 41.4 111.626 178.152 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.483 ' HD2' HD11 ' A' ' 119' ' ' ILE . 7.6 t80 . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 108.233 -1.025 . . . . 63.04 108.233 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . 5.0 p90 -71.56 75.4 0.8 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.783 0.801 . . . . 70.11 112.398 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.624 ' NH1' ' HB2' ' A' ' 118' ' ' GLU . 4.3 tpt180 -59.09 151.84 21.53 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.041 -0.982 . . . . 70.43 108.843 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.2 mttp 71.32 -62.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.855 0.462 . . . . 63.52 110.149 -170.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . 57.5 m-85 -55.13 -33.93 63.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 73.2 112.007 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 m -55.23 -53.57 54.35 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.445 0.64 . . . . 73.23 110.564 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -71.19 -40.83 70.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.38 -0.827 . . . . 52.34 109.042 -176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 11.8 tmtt? -53.47 -52.0 60.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.725 . . . . 65.33 110.532 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 54.7 tp10 -65.88 -52.25 51.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.011 -0.54 . . . . 63.1 110.452 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.89 -48.14 78.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 74.43 110.619 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.08 -36.31 83.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 61.14 111.032 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.67 -47.66 58.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.358 -0.383 . . . . 73.43 111.274 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.83 -3.36 56.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.312 -0.404 . . . . 74.52 110.704 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.2 t 68.86 37.98 2.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.836 -0.62 . . . . 74.53 111.539 172.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 84' ' ' GLN . 2.1 mm? -87.2 133.52 33.64 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.945 -0.761 . . . . 73.12 108.945 169.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.5 m -109.47 163.55 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.473 -0.566 . . . . 63.31 109.473 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 -135.18 6.77 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 111.171 -0.772 . . . . 63.55 111.171 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.08 148.95 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.027 0.413 . . . . 74.34 111.294 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 t -138.74 142.01 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.735 -0.469 . . . . 72.34 109.735 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -148.64 161.73 41.13 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 124.08 0.862 . . . . 62.0 109.659 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 119' ' ' ILE . 4.3 t-20 -100.63 155.76 17.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.577 -0.527 . . . . 73.4 109.577 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.401 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.5 m-80 -119.73 150.54 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.769 -0.826 . . . . 74.0 108.769 176.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.72 -4.08 21.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.324 0.583 . . . . 73.5 110.285 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.97 -7.86 53.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.706 -0.679 . . . . 73.01 110.207 172.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.19 4.63 71.23 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.909 -0.587 . . . . 64.4 111.735 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 p -106.68 135.62 47.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 74.3 110.942 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.3 t -96.42 129.42 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.809 -0.811 . . . . 61.55 108.809 173.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.8 m -137.94 151.41 47.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.049 0.452 . . . . 50.11 111.231 -175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.87 -164.69 32.07 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.639 -0.71 . . . . 53.55 111.373 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 56.5 t -136.94 140.23 43.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.948 -0.39 . . . . 74.14 109.948 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.06 143.45 28.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.643 -0.503 . . . . 63.53 109.643 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.528 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.8 mt-30 -142.91 134.99 27.17 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.484 -0.562 . . . . 75.34 109.484 -178.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.15 -170.85 38.74 Favored Glycine 0 C--O 1.228 -0.22 0 C-N-CA 121.096 -0.573 . . . . 73.2 111.986 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 18.8 Cg_endo -60.66 147.03 96.12 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.309 2.006 . . . . 73.32 111.638 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.5 tmtm? -47.2 -47.81 24.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.11 -0.496 . . . . 71.14 111.482 -176.112 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.67 -35.54 77.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 53.44 111.831 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.533 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.16 -38.61 60.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.698 0.285 . . . . 73.41 110.659 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.85 -38.02 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.289 -0.634 . . . . 73.43 109.289 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.93 -36.88 84.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.095 -0.957 . . . . 72.04 109.236 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' GLN . . . -60.47 -42.76 96.89 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.596 -0.729 . . . . 62.15 110.43 174.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -65.98 -45.6 81.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 72.11 110.931 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.46 ' HB ' ' OH ' ' A' ' 38' ' ' TYR . 8.6 p -66.73 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 120.983 0.42 . . . . 71.34 110.318 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -63.06 -42.24 99.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 73.32 109.996 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.8 -40.98 88.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.498 -0.773 . . . . 71.31 110.388 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.924 -0.58 . . . . 60.14 110.062 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -64.77 -11.06 32.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.059 -0.519 . . . . 73.34 111.762 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 94' ' ' LYS . 3.0 mmmp? -83.23 -19.47 36.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.852 0.358 . . . . 75.41 110.496 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.47 -168.29 51.21 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.111 -0.495 . . . . 31.54 112.665 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 17.8 m -103.23 145.26 30.26 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 109.962 -0.384 . . . . 75.45 109.962 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.72 -47.02 10.04 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.473 2.782 . . . . 63.34 114.262 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -108.52 10.36 27.23 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.895 0.332 . . . . 75.23 111.895 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.722 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.8 t -115.8 148.62 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.032 0.444 . . . . 65.2 110.96 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.1 109.78 29.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.775 -0.648 . . . . 74.34 109.701 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.4 m -81.25 111.48 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 73.33 110.409 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.69 -54.7 7.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 64.2 109.653 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . 8.9 mtpm? -134.4 124.97 26.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.667 -0.697 . . . . 72.44 110.47 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.1 p -105.78 109.04 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.513 -0.921 . . . . 63.52 108.513 170.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -122.09 130.94 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.138 -169.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.3 mm -114.09 152.35 15.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.243 -0.651 . . . . 72.12 109.243 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 51.5 t-80 -131.95 147.31 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.094 0.473 . . . . 63.51 110.814 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.17 6.54 0.94 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.803 1.409 . . . . 71.54 114.803 -171.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.9 m -59.5 130.11 45.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.194 0.521 . . . . 75.32 111.276 -169.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 p -78.26 178.41 7.66 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.16 -0.927 . . . . 61.2 111.956 -173.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -48.13 139.15 8.61 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.022 0.749 . . . . 70.34 113.022 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.42 176.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.023 -0.989 . . . . 51.15 109.71 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -85.31 139.2 31.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.835 -0.432 . . . . 74.32 109.835 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.3 159.55 28.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 61.52 111.592 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -138.4 -45.76 0.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.105 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.4 139.58 3.12 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.843 -0.694 . . . . 52.42 112.913 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.39 112.17 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.924 -0.399 . . . . 64.33 109.924 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.624 ' HB2' ' NH1' ' A' ' 50' ' ' ARG . 10.6 pt-20 -162.7 136.22 6.05 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.558 -0.457 . . . . 71.34 111.211 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.483 HD11 ' HD2' ' A' ' 48' ' ' PHE . 30.8 mm -70.44 86.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.621 0.724 . . . . 71.13 109.657 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 59.9 mtt180 -73.78 123.66 24.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.9 -1.046 . . . . 61.44 111.469 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 C--O 1.252 1.197 0 CA-C-N 114.424 -1.262 . . . . 75.33 108.862 -177.205 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.544 0.211 . . . . 64.33 110.702 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -95.39 142.38 27.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.545 -0.539 . . . . 71.11 109.545 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' HG2' ' A' ' 79' ' ' GLN . 62.3 m -148.98 132.27 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.657 0.265 . . . . 74.11 110.868 -177.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -146.28 142.63 28.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.294 -0.632 . . . . 70.33 109.294 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 34.9 m -85.39 137.71 32.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.451 -0.341 . . . . 71.23 110.179 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.83 139.64 47.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.289 -0.414 . . . . 74.21 110.144 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -147.26 123.3 10.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 74.33 109.823 175.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' HB ' HD11 ' A' ' 92' ' ' LEU . 13.5 p -136.46 150.64 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.562 -0.29 . . . . 72.44 110.884 -174.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 p -98.8 117.37 33.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.613 0.244 . . . . 74.2 111.2 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.439 0 N-CA-C 111.021 -0.832 . . . . 41.4 111.021 175.161 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.535 ' HB2' HG21 ' A' ' 74' ' ' VAL . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.465 -0.569 . . . . 63.04 109.465 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 32.5 m-85 -83.83 109.41 17.53 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.18 0.514 . . . . 70.11 111.633 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -52.91 -27.02 16.8 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.043 -0.98 . . . . 70.43 110.847 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.43 -63.01 1.42 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.433 -0.348 . . . . 63.52 110.962 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' HD2' ' HB2' ' A' ' 49' ' ' PHE . 78.8 m-85 -63.66 -36.95 85.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.101 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 m -61.23 -41.77 97.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.22 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.62 -45.99 87.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.411 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.7 -51.16 69.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.275 -0.42 . . . . 65.33 111.097 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.87 -54.76 42.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.285 0.564 . . . . 63.1 110.244 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -61.39 -39.5 90.9 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.63 -0.714 . . . . 74.43 111.735 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.5 -43.98 53.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 61.14 110.684 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.01 85.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 73.43 111.142 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 -12.54 31.13 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.9 0.381 . . . . 74.52 110.982 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 m 65.83 61.57 0.65 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.236 -0.438 . . . . 74.53 111.434 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 140.9 30.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.322 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.2 m -112.41 151.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.93 -0.767 . . . . 63.31 108.93 173.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.47 -138.94 6.82 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.991 -0.843 . . . . 63.55 110.991 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 148.02 5.67 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 117.429 0.615 . . . . 74.34 111.423 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -139.04 144.9 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.501 -0.318 . . . . 72.34 110.724 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -153.71 161.86 41.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.091 0.956 . . . . 62.0 109.229 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.669 ' HB2' HG23 ' A' ' 119' ' ' ILE . 9.9 t30 -102.4 153.85 19.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.849 -0.426 . . . . 73.4 109.849 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -118.53 158.69 24.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.771 -0.455 . . . . 74.0 109.771 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.24 -24.87 60.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.951 0.405 . . . . 73.5 111.257 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -68.02 -7.53 29.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.191 -0.459 . . . . 73.01 111.468 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.11 3.29 76.29 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.424 -0.671 . . . . 64.4 111.424 -175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -91.79 129.12 37.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.596 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 48' ' ' PHE . 35.9 t -92.69 114.88 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.687 -0.857 . . . . 61.55 108.687 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 m -122.02 157.33 31.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.549 -0.296 . . . . 50.11 110.653 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.95 -161.72 33.0 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.265 -0.493 . . . . 53.55 112.477 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.551 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 62.1 t -139.98 135.42 37.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 122.867 0.467 . . . . 74.14 110.392 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.11 134.46 53.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 123.717 0.636 . . . . 63.53 109.685 173.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.564 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.3 mt-30 -136.29 153.53 51.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.229 -0.442 . . . . 75.34 109.992 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.91 -159.12 25.42 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.842 -0.503 . . . . 73.2 111.842 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 134.6 33.84 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.246 1.964 . . . . 73.32 110.758 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -56.74 -20.7 23.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.154 0.427 . . . . 71.14 112.154 -173.388 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 32.7 mt-10 -67.28 -51.72 49.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.78 0.8 . . . . 53.44 109.899 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.89 -29.68 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.293 -0.867 . . . . 73.41 110.445 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.88 -41.44 90.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.039 -0.726 . . . . 73.43 109.039 170.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.494 ' HA ' HG12 ' A' ' 89' ' ' VAL . 19.6 t70 -64.38 -35.36 80.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.973 -0.558 . . . . 72.04 110.604 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 90' ' ' LYS . . . -63.72 -41.47 98.06 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.099 0.476 . . . . 62.15 110.827 175.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 8.8 t80 -68.13 -42.5 80.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 72.11 110.428 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 86' ' ' ASP . 9.7 p -64.27 -34.59 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 110.013 -0.365 . . . . 71.34 110.013 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 87' ' ' ALA . 13.8 ttpp -53.35 -53.34 52.57 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.105 -0.702 . . . . 73.32 109.105 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.0 t80 -59.47 -39.87 85.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.519 -0.764 . . . . 71.31 110.81 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -65.19 -41.25 94.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.68 0.276 . . . . 60.14 110.393 -176.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -61.93 -31.3 71.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.013 0.435 . . . . 73.34 110.539 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.05 -23.27 26.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.704 . . . . 75.41 110.269 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' TYR . . . 56.57 -159.7 8.56 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.038 -0.825 . . . . 31.54 111.038 -171.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.3 m -74.91 118.05 67.41 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 107.857 -1.164 . . . . 75.45 107.857 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 9.69 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.881 0 C-N-CA 123.204 2.603 . . . . 63.34 114.44 -168.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -118.95 -22.69 7.18 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.062 0.458 . . . . 75.23 109.988 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -92.02 -179.1 5.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.928 -0.578 . . . . 65.2 110.48 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.87 105.07 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 110.143 -0.317 . . . . 74.34 110.143 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.38 119.68 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.393 -0.595 . . . . 73.33 109.393 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -87.97 -41.42 13.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 64.2 111.874 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . 6.9 ttpm? -147.99 135.43 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.602 0.239 . . . . 72.44 111.267 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.86 142.4 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.451 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.0 m -138.18 139.15 39.21 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.46 -0.57 . . . . 74.04 109.46 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.1 mm -126.48 148.67 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.074 -0.343 . . . . 72.12 110.074 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 10.1 t-80 -128.36 143.12 50.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.846 0.355 . . . . 63.51 110.619 -176.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.58 6.28 3.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -170.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.612 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 67.8 m -59.84 138.86 57.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.422 0.629 . . . . 75.32 112.367 -167.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.3 m -71.37 178.38 3.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.647 -1.16 . . . . 61.2 112.548 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -59.23 136.3 57.91 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.159 -0.928 . . . . 70.34 112.24 -174.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' H ' ' NE2' ' A' ' 79' ' ' GLN . 27.7 m -131.84 175.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.58 -0.736 . . . . 51.15 110.015 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.19 126.84 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.995 -0.372 . . . . 74.32 109.995 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.97 147.93 50.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.228 -0.442 . . . . 61.52 111.724 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 8.7 t70 -121.31 -43.34 2.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.937 -0.574 . . . . 74.33 110.703 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.49 141.43 4.08 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.261 -0.495 . . . . 52.42 112.657 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.08 111.93 23.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.452 -0.573 . . . . 64.33 109.452 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.7 pt-20 -162.72 127.33 3.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 71.34 110.474 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.8 mp -66.76 86.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.618 0.723 . . . . 71.13 110.022 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.569 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.9 mtt180 -81.38 144.33 31.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.737 -1.12 . . . . 61.44 110.8 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.71 -0.662 . . . . 75.33 109.337 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.801 0.334 . . . . 64.33 110.225 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.4 m -94.58 146.27 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.782 -0.451 . . . . 71.11 109.782 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 79' ' ' GLN . 76.2 m -147.29 134.74 20.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.275 -0.268 . . . . 74.11 110.275 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.46 142.9 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.348 -0.612 . . . . 70.33 109.348 172.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 63.6 m -89.07 143.1 27.09 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.93 -0.396 . . . . 71.23 109.93 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CE1' ' HB ' ' A' ' 78' ' ' VAL . 1.3 m-85 -111.73 139.24 47.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.769 -0.456 . . . . 74.21 109.769 -178.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -146.82 111.27 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 74.33 108.819 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.11 145.62 32.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.481 0.658 . . . . 72.44 111.001 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.438 HG22 ' HB3' ' A' ' 73' ' ' SER . 36.8 p -118.66 132.81 56.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.067 -1.086 . . . . 74.2 108.067 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.822 0 C-N-CA 119.962 -1.113 . . . . 41.4 113.293 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 109.93 -0.396 . . . . 63.04 109.93 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' HE2' ' HB2' ' A' ' 99' ' ' SER . 3.7 p90 4.07 76.96 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.204 1.402 . . . . 70.11 114.372 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.526 ' HB2' HD13 ' A' ' 119' ' ' ILE . 64.9 ttt180 -65.55 -19.49 65.94 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.99 -0.55 . . . . 70.43 109.902 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.87 -59.38 5.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.902 -0.59 . . . . 63.52 110.013 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -72.7 -38.07 67.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.67 -0.695 . . . . 73.2 110.887 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.2 m -58.12 -46.73 85.08 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.016 0.436 . . . . 73.23 110.583 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -65.06 -47.14 78.36 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.906 -0.588 . . . . 52.34 110.14 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -52.47 -51.53 58.88 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.304 0.377 . . . . 65.33 110.49 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.38 -57.41 12.89 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.657 -0.702 . . . . 63.1 110.782 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.75 96.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.685 -0.689 . . . . 74.43 111.562 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.96 -36.19 81.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 61.14 111.018 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.96 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.482 -0.326 . . . . 73.43 111.321 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 78.0 mt -89.27 -8.04 54.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.939 0.348 . . . . 74.52 111.939 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m 67.79 58.81 0.48 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.096 0.558 . . . . 74.53 111.558 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.3 mm? -92.16 133.93 35.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.903 -0.589 . . . . 73.12 109.501 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -110.72 152.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.112 -0.329 . . . . 63.31 110.112 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.7 -134.77 4.88 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.238 -0.745 . . . . 63.55 111.238 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.08 149.56 6.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.168 0.484 . . . . 74.34 110.822 177.11 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.75 141.96 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 123.179 0.299 . . . . 72.34 110.344 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.694 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 8.8 t -152.25 162.09 41.65 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.849 0.718 . . . . 62.0 109.932 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.549 ' HB2' HG23 ' A' ' 119' ' ' ILE . 6.4 t30 -110.41 142.33 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 73.4 110.26 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -102.26 149.2 24.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.067 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.9 -24.21 62.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.216 0.531 . . . . 73.5 110.744 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.67 -4.11 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.348 -0.842 . . . . 73.01 111.748 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.86 45.59 7.12 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.072 -0.585 . . . . 64.4 112.017 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.438 ' HB3' HG22 ' A' ' 41' ' ' THR . 31.8 p -152.55 142.26 21.91 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 110.131 -0.322 . . . . 74.3 110.131 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.34 133.02 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.969 -0.382 . . . . 61.55 109.969 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -135.36 160.39 38.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 50.11 110.683 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.75 -165.78 38.26 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.205 -0.758 . . . . 53.55 111.205 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.54 HG22 ' SG ' ' A' ' 37' ' ' CYS . 34.8 t -140.69 138.53 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 117.057 0.428 . . . . 74.14 110.19 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.429 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 73.6 t -116.71 140.58 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.584 -0.525 . . . . 63.53 109.584 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.562 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 75.34 109.964 177.696 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.07 -152.36 22.24 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.016 -0.833 . . . . 73.2 111.016 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 31.1 Cg_endo -65.71 127.37 17.77 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.465 2.11 . . . . 73.32 111.502 176.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.56 -30.77 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.98 0.733 . . . . 71.14 112.98 -176.485 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 8.1 pt-20 -70.25 -45.9 65.52 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.616 0.246 . . . . 53.44 111.355 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.557 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.401 0.143 . . . . 73.41 110.83 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 89' ' ' VAL . 62.4 t -58.54 -45.48 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.322 -0.622 . . . . 73.43 109.322 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.38 -39.96 89.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 72.04 110.318 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.629 -0.714 . . . . 62.15 110.752 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.51 -35.81 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 72.11 109.83 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 85' ' ' VAL . 92.7 t -60.45 -47.32 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.093 -0.503 . . . . 71.34 109.961 173.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -47.03 76.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.827 -0.624 . . . . 73.32 109.724 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -60.35 -43.53 96.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.146 -0.934 . . . . 71.31 110.853 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 60.14 110.387 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -64.15 -35.06 79.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.225 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -85.98 -37.28 19.17 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 75.41 110.983 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.74 -128.44 26.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.301 -0.72 . . . . 31.54 111.301 -172.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.3 m -155.63 154.34 27.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.511 -0.552 . . . . 75.45 109.511 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -59.55 -11.85 15.43 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.034 2.489 . . . . 63.34 113.037 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -75.94 -26.16 56.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.625 -0.261 . . . . 75.23 111.105 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.423 ' HB2' ' HE2' ' A' ' 49' ' ' PHE . 50.0 m -150.37 137.03 19.04 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.833 0.349 . . . . 65.2 110.65 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.4 t -92.49 99.78 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 74.34 111.22 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.491 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 29.8 m -67.27 140.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 73.33 110.247 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.77 -57.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.385 . . . . 64.2 111.302 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -143.41 131.25 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.29 -0.413 . . . . 72.44 110.489 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.17 142.39 24.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.351 -0.386 . . . . 63.52 110.282 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.3 m -138.02 130.84 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.311 -0.626 . . . . 74.04 109.311 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.4 mm -116.78 157.18 17.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 109.986 -0.375 . . . . 72.12 109.986 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 50.9 t-80 -133.2 144.51 49.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 121.226 0.536 . . . . 63.51 111.057 -177.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 7.62 0.94 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 116.082 1.882 . . . . 71.54 116.082 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.1 p -58.12 141.5 50.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.9 0.773 . . . . 75.32 113.031 -158.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m -70.99 178.36 3.24 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.2 -0.909 . . . . 61.2 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -50.93 131.09 26.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.953 -0.567 . . . . 70.34 112.523 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.05 176.16 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.494 -0.776 . . . . 51.15 109.621 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -98.16 116.06 29.6 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.961 -0.385 . . . . 74.32 109.961 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.98 145.15 42.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.15 -0.477 . . . . 61.52 111.602 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.17 -47.71 1.75 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.073 -0.512 . . . . 74.33 110.96 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.96 148.65 4.84 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.663 -0.78 . . . . 52.42 113.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -95.42 112.13 23.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.239 -0.652 . . . . 64.33 109.239 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.8 pt-20 -162.67 126.2 2.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 71.34 110.369 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.549 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -70.4 86.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.776 0.798 . . . . 71.13 109.476 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.694 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.0 mtt180 -77.44 144.53 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.47 -1.241 . . . . 61.44 110.522 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.367 -0.825 . . . . 75.33 110.422 -177.423 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG21 ' NH2' ' A' ' 111' ' ' ARG . 39.8 t . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.422 0.63 . . . . 64.33 110.188 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' A' ' 82' ' ' LYS . 34.5 m -84.34 127.0 33.72 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.746 -1.116 . . . . 71.11 109.601 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -121.65 129.51 52.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.145 -0.317 . . . . 74.11 110.145 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.19 139.05 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.535 . . . . 70.33 109.674 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 51.1 t -90.91 135.42 33.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.051 -0.722 . . . . 71.23 109.051 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -111.94 146.43 37.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.298 . . . . 74.21 110.995 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -156.35 116.9 3.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 74.33 109.79 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HB ' HD11 ' A' ' 92' ' ' LEU . 12.6 p -123.89 145.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.32 . . . . 72.44 110.387 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.618 HG23 ' HB3' ' A' ' 102' ' ' LYS . 7.9 t -116.84 165.24 13.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.475 -0.565 . . . . 74.2 109.475 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.119 0 C-N-CA 120.651 -0.785 . . . . 41.4 113.703 -172.273 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 119' ' ' ILE . 6.3 m-30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.667 0.27 . . . . 63.04 110.44 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 23.6 t80 -73.57 115.72 13.31 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-O 121.134 0.492 . . . . 70.11 110.445 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.8 tpt180 -65.97 75.25 0.08 Allowed 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.495 -1.23 . . . . 70.43 110.991 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.0 tttm 160.11 -50.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 124.763 1.225 . . . . 63.52 107.98 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.704 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 11.2 m-30 -62.04 -38.06 87.29 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.998 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 48' ' ' PHE . 36.6 m -59.91 -53.52 56.89 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.608 -0.437 . . . . 73.23 111.048 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -60.75 -49.61 76.81 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.955 -0.566 . . . . 52.34 109.76 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -57.74 -43.51 85.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.048 -0.524 . . . . 65.33 110.407 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.59 -55.27 36.63 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.128 0.489 . . . . 63.1 110.067 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -55.75 -47.65 76.61 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.263 -0.88 . . . . 74.43 110.684 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.48 -43.07 99.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 61.14 110.856 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.64 75.2 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.813 -0.631 . . . . 73.43 111.502 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 84' ' ' GLN . 4.2 mm? -85.76 -7.23 58.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.508 -0.315 . . . . 74.52 110.726 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 68.03 47.05 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.362 0.601 . . . . 74.53 111.704 174.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 57' ' ' ALA . 1.8 mm? -84.55 133.72 34.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.764 -0.653 . . . . 73.12 109.431 173.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 18.5 m -104.07 153.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.677 . . . . 63.31 109.171 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.24 -132.19 5.05 Favored Glycine 0 CA--C 1.511 -0.167 0 N-CA-C 111.342 -0.703 . . . . 63.55 111.342 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.12 150.46 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.132 0.466 . . . . 74.34 111.112 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.7 t -138.97 141.9 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 116.564 -0.289 . . . . 72.34 110.87 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.581 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -152.39 161.91 41.93 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.106 0.879 . . . . 62.0 110.356 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' A' ' 121' ' ' ARG . 3.9 t-20 -96.54 155.57 16.71 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.088 -0.338 . . . . 73.4 110.088 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 0.8 OUTLIER -114.94 163.22 15.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.553 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.51 -47.15 63.4 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.873 0.733 . . . . 73.5 112.114 -175.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.01 -17.56 64.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.134 -0.485 . . . . 73.01 111.505 -175.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.87 2.18 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.891 -1.283 . . . . 64.4 109.891 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' A' ' 69' ' ' ASN . 46.7 t -123.41 126.54 46.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.062 -0.569 . . . . 74.3 109.7 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.75 114.89 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.472 -0.566 . . . . 61.55 109.472 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.6 p -121.94 166.86 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.294 -0.412 . . . . 50.11 110.502 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.02 -162.31 35.84 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.141 -0.552 . . . . 53.55 111.978 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -138.18 136.71 44.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 109.735 -0.469 . . . . 74.14 109.735 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.53 HG13 ' HB3' ' A' ' 62' ' ' LEU . 58.1 t -120.89 133.41 67.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 O-C-N 123.621 0.575 . . . . 63.53 109.462 176.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 63' ' ' VAL . 1.1 mt-30 -134.37 137.56 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.585 -0.524 . . . . 75.34 109.585 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -163.74 30.2 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.588 -0.605 . . . . 73.2 111.588 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 29.2 Cg_endo -62.41 130.75 31.22 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.148 1.899 . . . . 73.32 110.879 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HA ' ' HB ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -58.65 -19.85 42.78 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 117.032 -0.076 . . . . 71.14 111.174 -172.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.58 -52.25 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.328 0.585 . . . . 53.44 110.177 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.442 ' HG3' HD12 ' A' ' 60' ' ' LEU . 2.5 mp0 -74.87 -32.17 61.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.479 -0.782 . . . . 73.41 110.519 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 89' ' ' VAL . 94.3 t -61.65 -44.65 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.168 -0.679 . . . . 73.43 109.168 172.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 25.5 t0 -66.75 -31.1 71.53 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.912 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 84' ' ' GLN . . . -59.98 -45.68 91.9 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.47 0.652 . . . . 62.15 110.044 172.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.95 -34.49 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.428 -0.805 . . . . 72.11 109.438 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 85' ' ' VAL . 72.3 t -61.65 -40.75 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.113 -0.494 . . . . 71.34 110.586 174.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 55.2 mmtt -60.6 -49.54 77.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.966 -0.753 . . . . 73.32 108.966 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -58.6 -34.84 71.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.21 -0.904 . . . . 71.31 110.614 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.497 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -71.17 -40.93 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.293 -0.412 . . . . 60.14 110.139 -177.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -67.61 -30.26 69.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.121 -0.49 . . . . 73.34 110.796 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -85.58 -29.03 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 75.41 110.136 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.64 -152.35 31.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.556 -0.747 . . . . 31.54 111.938 -175.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.9 m -93.21 120.7 66.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.804 -0.813 . . . . 75.45 108.804 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.3 -14.56 20.44 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.998 2.465 . . . . 63.34 113.373 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -75.13 -26.35 59.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.893 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.3 m -111.5 172.3 6.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 65.2 110.817 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.07 112.78 41.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.433 -0.58 . . . . 74.34 109.433 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.9 m -74.47 138.71 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 73.33 110.75 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 41' ' ' THR . 54.3 tptt -89.43 -57.7 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.356 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -155.49 141.35 18.13 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.585 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.84 142.29 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 63.52 109.918 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -137.76 126.06 23.21 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.725 -0.472 . . . . 74.04 109.725 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.7 mm -116.51 154.06 18.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.655 -0.498 . . . . 72.12 109.655 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 29.4 t-80 -133.81 147.22 51.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 63.51 110.682 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.47 0.94 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.4 m -59.99 129.93 44.23 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.36 0.6 . . . . 75.32 111.686 -167.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 m -78.06 178.4 7.55 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.116 -0.947 . . . . 61.2 111.836 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.425 ' NH2' HG21 ' A' ' 33' ' ' VAL . 25.6 ttm180 -42.62 129.13 4.12 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.015 0.822 . . . . 70.34 112.46 -176.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.21 175.99 8.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.189 -0.914 . . . . 51.15 109.79 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.31 121.01 22.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 74.32 110.465 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.49 40.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.134 -0.484 . . . . 61.52 111.475 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.75 -48.19 0.81 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.454 -0.339 . . . . 74.33 111.018 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.98 146.65 4.38 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.909 -0.662 . . . . 52.42 112.919 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.73 112.26 24.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.836 -0.431 . . . . 64.33 109.836 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.535 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.0 pt-20 -162.61 131.56 4.17 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.047 0.451 . . . . 71.34 110.208 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 21.9 mm -68.03 86.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.382 0.61 . . . . 71.13 109.971 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.581 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 57.8 mtt180 -81.54 138.21 35.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.979 -1.009 . . . . 61.44 110.435 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 68' ' ' ASN . 34.8 mtp-105 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.44 -0.79 . . . . 75.33 109.478 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.207 0.527 . . . . 64.33 109.714 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.456 ' HB ' HG21 ' A' ' 85' ' ' VAL . 35.5 m -83.45 125.47 31.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.549 -0.75 . . . . 71.11 110.456 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -119.07 128.8 54.67 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.628 -0.508 . . . . 74.11 109.628 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.77 134.94 25.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 70.33 109.52 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 58.0 m -89.65 134.63 34.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.706 -0.479 . . . . 71.23 109.706 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.9 m-85 -111.66 140.55 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 74.21 111.613 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 76.9 ttt180 -149.22 120.31 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.674 -0.693 . . . . 74.33 109.674 166.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.3 p -121.55 143.85 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.399 -0.593 . . . . 72.44 109.399 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 30.0 p -104.48 150.47 24.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.039 -0.528 . . . . 74.2 109.703 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.179 0 C-N-CA 120.711 -0.757 . . . . 41.4 111.729 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' HB3' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.335 0 N-CA-C 109.9 -0.407 . . . . 63.04 109.9 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.14 116.45 29.36 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.312 0.577 . . . . 70.11 111.654 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 2.9 tpp180 -48.05 -43.74 30.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.739 -1.119 . . . . 70.43 111.594 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -50.53 -60.85 2.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.07 -0.514 . . . . 63.52 111.42 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -69.4 -35.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.618 . . . . 73.2 111.074 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -58.44 -53.79 54.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.947 0.403 . . . . 73.23 110.524 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -69.93 -35.28 74.43 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.7 -178.257 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 61.9 tttp -58.6 -52.26 66.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.074 0.464 . . . . 65.33 110.048 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.68 -55.42 20.17 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.511 -0.768 . . . . 63.1 110.371 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -60.82 -38.53 85.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.486 -0.779 . . . . 74.43 111.779 -175.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 -40.42 65.11 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.817 0.342 . . . . 61.14 110.306 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.01 82.96 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.956 -0.565 . . . . 73.43 111.472 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 84' ' ' GLN . 3.3 mm? -92.94 -12.34 31.09 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.459 -0.337 . . . . 74.52 111.303 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.6 t 67.25 61.77 0.47 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.289 0.635 . . . . 74.53 111.433 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -93.65 149.28 21.36 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.801 -0.636 . . . . 73.12 109.692 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.7 m -123.8 164.43 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 63.31 110.013 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.75 -126.45 2.88 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 111.268 -0.733 . . . . 63.55 111.268 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.663 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.11 144.24 4.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.076 0.438 . . . . 74.34 111.051 176.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 117' ' ' PHE . 8.6 t -138.76 137.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.796 -0.638 . . . . 72.34 110.146 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.714 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.0 t -141.31 161.71 37.23 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.245 0.966 . . . . 62.0 109.534 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 74' ' ' VAL . 2.7 t30 -117.26 126.94 53.55 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.879 -0.415 . . . . 73.4 109.879 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -87.82 146.71 25.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 74.0 110.888 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.91 -30.9 64.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.04 -0.527 . . . . 73.5 111.093 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.24 -12.98 57.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.962 -0.563 . . . . 73.01 111.01 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.09 50.57 2.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 64.4 111.709 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 t -149.15 131.65 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.774 -0.454 . . . . 74.3 109.774 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 23.6 t -92.67 132.76 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 p -139.52 151.23 45.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 50.11 110.936 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 65' ' ' TYR . . . 169.89 -160.28 33.22 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.757 -0.537 . . . . 53.55 111.757 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.5 t -140.5 143.67 28.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 109.988 -0.375 . . . . 74.14 109.988 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.93 144.19 24.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 109.724 -0.473 . . . . 63.53 109.724 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB2' HG23 ' A' ' 63' ' ' VAL . 3.2 mt-30 -141.1 130.66 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.271 -0.641 . . . . 75.34 109.271 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.37 -174.08 37.05 Favored Glycine 0 CA--C 1.516 0.142 0 C-N-CA 120.986 -0.626 . . . . 73.2 112.134 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -59.89 139.02 86.09 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.581 2.187 . . . . 73.32 112.005 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -52.7 -33.13 46.21 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.653 0.612 . . . . 71.14 112.653 -173.764 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.1 pt-20 -70.27 -42.14 72.51 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.888 0.375 . . . . 53.44 110.726 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.522 ' HG3' HD12 ' A' ' 60' ' ' LEU . 1.7 mp0 -71.26 -37.83 71.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.298 -0.41 . . . . 73.41 110.365 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG21 ' HB ' ' A' ' 34' ' ' THR . 88.8 t -63.05 -36.59 76.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.691 -0.485 . . . . 73.43 109.691 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HA ' HG12 ' A' ' 89' ' ' VAL . 26.1 t70 -65.08 -40.97 95.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.705 -0.68 . . . . 72.04 109.98 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.05 81.67 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.065 0.459 . . . . 62.15 110.434 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -66.56 -47.39 72.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.417 -0.81 . . . . 72.11 111.258 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 86' ' ' ASP . 7.4 p -67.18 -36.16 76.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.397 0.618 . . . . 71.34 110.594 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.526 -0.761 . . . . 73.32 109.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.08 -40.02 86.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.546 -0.752 . . . . 71.31 109.875 170.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.427 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -59.59 -38.73 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 60.14 109.977 -179.056 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -62.64 -23.9 67.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.103 -0.499 . . . . 73.34 111.294 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -85.12 -34.13 22.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.212 0.53 . . . . 75.41 109.593 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.46 -93.23 0.29 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.283 -0.871 . . . . 31.54 111.858 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -160.54 133.71 4.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.187 -0.672 . . . . 75.45 109.187 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.34 9.32 0.41 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 122.712 2.275 . . . . 63.34 113.103 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -107.8 -0.71 21.47 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.672 0.389 . . . . 75.23 110.852 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -156.72 -176.0 5.73 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.432 -0.349 . . . . 65.2 110.089 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.55 134.73 58.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.298 -0.41 . . . . 74.34 110.142 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.85 145.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 73.33 111.005 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 21.8 ttmm -87.77 -57.46 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 64.2 109.476 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -158.07 134.52 9.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.909 -0.587 . . . . 72.44 110.705 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.34 139.48 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.028 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -137.74 124.68 21.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 74.04 110.38 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.7 mm -117.96 145.56 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.469 -0.332 . . . . 72.12 110.331 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 57.9 m170 -122.2 152.38 40.03 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.912 0.387 . . . . 63.51 110.952 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.48 5.85 11.8 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.787 1.235 . . . . 71.54 113.786 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.704 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.4 m -59.31 131.67 51.71 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.156 0.503 . . . . 75.32 111.667 -167.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 p -71.23 178.54 3.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.134 -0.939 . . . . 61.2 112.009 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -47.62 125.34 8.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.809 -0.632 . . . . 70.34 112.683 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.42 176.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.003 -0.999 . . . . 51.15 109.027 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.04 133.23 41.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.976 0.417 . . . . 74.32 110.257 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.39 139.82 54.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.429 -0.805 . . . . 61.52 112.315 -172.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.663 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 14.3 t70 -109.91 -48.72 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.033 -0.729 . . . . 74.33 109.033 176.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 147.68 139.91 3.3 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.537 -0.756 . . . . 52.42 112.478 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CD1' HG23 ' A' ' 66' ' ' VAL . 24.7 m-85 -82.2 112.13 18.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.652 -0.87 . . . . 64.33 108.652 171.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -159.94 121.21 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.094 0.474 . . . . 71.34 110.753 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.411 HG23 ' HB2' ' A' ' 68' ' ' ASN . 22.3 mm -63.35 87.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.441 0.639 . . . . 71.13 109.869 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.714 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 14.0 mtt-85 -65.56 131.09 45.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 61.44 111.421 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 114.935 -1.03 . . . . 75.33 109.645 -175.374 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.236 0.365 0 CA-C-O 121.13 0.491 . . . . 64.33 110.173 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 m -82.05 150.92 27.31 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.535 -0.757 . . . . 71.11 109.656 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -142.05 128.55 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 74.11 110.327 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -139.94 136.93 34.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 70.33 109.417 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.736 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 83.3 m -87.49 135.01 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.907 -0.405 . . . . 71.23 109.907 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.8 143.39 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.127 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -154.27 110.99 3.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.079 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -111.84 145.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.464 -0.569 . . . . 72.44 109.464 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 73' ' ' SER . 7.5 p -99.76 134.17 43.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.604 -0.517 . . . . 74.2 109.604 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.159 0 C-N-CA 121.004 -0.617 . . . . 41.4 112.654 -175.616 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' HB2' HG21 ' A' ' 74' ' ' VAL . 10.1 t80 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.554 -0.535 . . . . 63.04 109.554 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -62.52 84.31 0.02 OUTLIER 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.676 0.621 . . . . 70.11 112.676 -176.34 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HE ' ' HB ' ' A' ' 119' ' ' ILE . 91.6 mtt180 -50.17 -41.05 48.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.294 -0.866 . . . . 70.43 111.826 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -53.9 -54.71 34.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.275 0.56 . . . . 63.52 111.056 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.98 -38.05 79.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.432 -0.804 . . . . 73.2 110.378 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -61.17 -41.13 96.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.009 0.433 . . . . 73.23 110.527 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.35 -51.87 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.24 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -56.44 -50.09 72.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.967 -0.56 . . . . 65.33 110.719 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.93 -56.99 14.88 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.534 -0.757 . . . . 63.1 110.573 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -61.88 -41.95 98.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 74.43 111.371 -175.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.35 -42.8 82.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.732 0.301 . . . . 61.14 110.86 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.01 68.9 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.229 -0.441 . . . . 73.43 111.019 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.485 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.4 mm? -80.17 -12.71 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.411 -0.358 . . . . 74.52 110.633 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 68.59 48.67 0.79 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.017 -0.538 . . . . 74.53 111.707 174.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.7 mm? -84.73 133.88 34.36 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.777 -0.453 . . . . 73.12 109.777 173.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 79' ' ' GLN . 20.0 m -111.4 163.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.227 -0.657 . . . . 63.31 109.227 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.11 -129.39 4.05 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.667 -0.973 . . . . 63.55 110.667 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 149.67 5.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.218 0.509 . . . . 74.34 110.926 177.281 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -139.32 149.39 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.973 -0.381 . . . . 72.34 109.973 175.19 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.7 t -161.69 161.83 29.58 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.899 0.749 . . . . 62.0 110.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . 56.8 t30 -95.76 164.49 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.419 -0.586 . . . . 73.4 109.419 174.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -130.96 153.26 49.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 74.0 109.114 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.87 -12.13 16.2 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.842 0.353 . . . . 73.5 111.07 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.21 -19.47 65.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.575 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.51 43.73 6.07 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.52 -1.032 . . . . 64.4 110.52 -171.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.493 ' HB3' HG22 ' A' ' 41' ' ' THR . 63.8 p -151.05 133.54 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.722 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 68' ' ' ASN . 59.4 t -92.57 115.0 30.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.37 -0.604 . . . . 61.55 109.37 177.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 p -115.17 156.96 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 50.11 110.685 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.95 -165.62 36.34 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.256 -0.497 . . . . 53.55 112.266 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.63 135.51 34.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 122.919 0.488 . . . . 74.14 109.954 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.24 136.53 49.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 124.011 0.819 . . . . 63.53 110.06 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 63' ' ' VAL . 35.0 mt-30 -132.54 151.72 51.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.04 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.91 -170.27 24.59 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.402 -0.679 . . . . 73.2 111.402 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.4 Cg_endo -57.34 138.75 87.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.332 2.022 . . . . 73.32 111.339 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.559 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -52.87 -33.06 48.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.411 0.522 . . . . 71.14 112.411 -173.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.559 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 9.5 pt-20 -70.02 -34.18 72.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.989 0.424 . . . . 53.44 110.937 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.518 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.9 mp0 -74.93 -43.11 55.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 73.41 110.428 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.29 -39.86 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 28.4 t70 -60.8 -42.29 97.31 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 115.241 -0.891 . . . . 72.04 110.412 174.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.43 81.41 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.17 0.51 . . . . 62.15 110.28 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -66.95 -38.53 86.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.647 -0.706 . . . . 72.11 111.181 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 86' ' ' ASP . 6.7 p -68.62 -38.07 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.955 -0.298 . . . . 71.34 110.513 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 74.8 mmtt -60.64 -47.44 86.22 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.835 -0.802 . . . . 73.32 108.835 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.32 -38.96 72.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.952 -1.022 . . . . 71.31 110.798 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -37.41 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 60.14 110.194 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -71.51 -23.48 61.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.318 -0.401 . . . . 73.34 110.437 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 11.3 mmmm -65.8 -42.38 90.76 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.04 0.448 . . . . 75.41 110.071 176.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.38 176.26 46.65 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.592 -0.731 . . . . 31.54 112.537 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 99' ' ' SER . 38.3 m -79.6 154.11 76.1 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 75.45 110.469 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.54 -54.56 5.15 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.045 2.497 . . . . 63.34 113.186 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.417 ' HB2' ' HZ3' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -120.99 -26.52 5.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.534 -0.303 . . . . 75.23 111.016 -177.775 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 96' ' ' SER . 10.1 m -70.84 78.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.86 -0.793 . . . . 65.2 108.86 172.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.41 140.17 13.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.349 -0.842 . . . . 74.34 111.494 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.53 139.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.808 -0.633 . . . . 73.33 110.148 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -82.9 -51.21 7.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 64.2 110.034 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -166.64 144.39 5.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.883 -0.599 . . . . 72.44 110.018 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.28 144.44 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.024 -0.361 . . . . 63.52 110.024 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.0 m -137.98 129.21 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.136 -0.69 . . . . 74.04 109.136 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.92 152.68 24.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 109.833 -0.432 . . . . 72.12 109.833 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 14.9 t-80 -135.08 145.88 48.37 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.21 0.529 . . . . 63.51 111.4 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.42 6.5 2.92 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.867 1.267 . . . . 71.54 114.346 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.736 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 53.2 m -59.88 138.04 57.91 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.417 0.627 . . . . 75.32 112.176 -167.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.6 p -76.03 178.56 6.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.788 -1.097 . . . . 61.2 112.068 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -50.5 124.18 10.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.671 -0.695 . . . . 70.34 112.165 -173.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -112.09 175.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.963 -0.754 . . . . 51.15 108.963 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.3 126.93 37.59 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.763 -0.458 . . . . 74.32 109.763 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.52 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 61.52 112.544 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.546 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 23.0 m-20 -115.23 -56.36 2.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.701 -0.681 . . . . 74.33 109.914 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.463 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.57 149.18 5.0 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.783 -0.644 . . . . 52.42 112.414 -176.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.475 ' CD2' ' HB ' ' A' ' 66' ' ' VAL . 54.5 m-85 -91.63 111.74 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.657 -0.32 . . . . 64.33 110.363 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 12.6 pt-20 -162.82 135.86 5.76 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 110.333 -0.247 . . . . 71.34 110.333 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.476 HG23 ' HB2' ' A' ' 68' ' ' ASN . 40.2 mm -72.33 86.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.438 0.637 . . . . 71.13 110.341 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.539 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 93.5 mtt180 -83.88 144.45 29.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 61.44 109.97 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.399 -0.81 . . . . 75.33 110.261 -177.444 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.849 -0.426 . . . . 64.33 109.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -84.87 135.27 34.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.435 -0.58 . . . . 71.11 109.435 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 79' ' ' GLN . 95.2 m -142.99 133.75 25.29 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.401 -0.222 . . . . 74.11 110.401 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' A' ' 106' ' ' ILE . 4.9 mp -147.51 140.56 25.07 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.067 -0.515 . . . . 70.33 110.494 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 59.3 m -81.87 140.32 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 71.23 110.299 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -112.32 141.18 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.391 . . . . 74.21 111.177 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' A' ' 105' ' ' SER . 9.3 ttp180 -147.41 110.77 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 74.33 109.096 172.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.86 149.2 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.737 0.303 . . . . 72.44 110.773 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 12.8 p -106.69 135.32 48.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.343 -0.389 . . . . 74.2 110.703 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.411 0 C-N-CA 121.113 -0.565 . . . . 41.4 112.113 179.155 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HD2' HD11 ' A' ' 119' ' ' ILE . 44.4 t80 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 107.852 -1.166 . . . . 63.04 107.852 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 48.3 m-85 -59.68 91.56 0.02 OUTLIER 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.591 0.589 . . . . 70.11 112.591 -172.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.555 ' HB3' HG12 ' A' ' 119' ' ' ILE . 14.4 ptm180 -54.48 -26.44 31.37 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.192 -0.913 . . . . 70.43 110.621 173.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -45.34 84.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.744 0.306 . . . . 63.52 110.274 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -74.05 -34.73 64.16 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.059 -0.348 . . . . 73.2 110.059 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -60.84 -39.35 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 73.23 110.024 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 9.0 mtpm? -71.4 -38.24 71.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.065 -0.516 . . . . 52.34 110.951 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.81 -52.17 66.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 65.33 109.921 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -59.68 -57.21 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.287 -0.869 . . . . 63.1 110.544 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -58.13 -45.41 87.4 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.298 -0.865 . . . . 74.43 111.641 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.69 -44.27 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.767 0.318 . . . . 61.14 111.262 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.67 88.22 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.104 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -83.41 -11.71 57.26 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.022 -0.535 . . . . 74.52 110.745 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 67.82 46.93 1.19 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.243 0.617 . . . . 74.53 112.121 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.24 138.63 33.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.827 -0.624 . . . . 73.12 109.417 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 79' ' ' GLN . 33.2 m -111.6 158.84 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.022 -0.732 . . . . 63.31 109.022 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.64 -141.48 9.8 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 110.84 -0.904 . . . . 63.55 110.84 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.03 147.33 5.57 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.301 0.55 . . . . 74.34 111.572 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.8 148.54 24.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.952 -0.567 . . . . 72.34 109.631 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -157.29 161.85 39.15 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 124.216 0.948 . . . . 62.0 109.709 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.1 t-20 -107.25 130.57 54.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.072 0.463 . . . . 73.4 110.937 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.36 155.53 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 74.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.94 -24.65 39.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.772 0.429 . . . . 73.5 111.711 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.47 -11.06 59.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.28 -0.418 . . . . 73.01 111.58 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.73 21.13 48.47 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.341 -0.704 . . . . 64.4 111.341 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 p -112.08 138.66 48.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.858 -0.423 . . . . 74.3 109.858 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.95 121.22 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.652 -0.499 . . . . 61.55 109.652 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -124.27 164.32 19.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.691 0.282 . . . . 50.11 111.022 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.66 -161.14 34.36 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.193 -0.458 . . . . 53.55 112.183 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.68 140.61 33.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 122.694 0.397 . . . . 74.14 110.058 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.02 141.15 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.823 -0.436 . . . . 63.53 109.823 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.4 mt-30 -142.07 131.27 23.4 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.51 -0.552 . . . . 75.34 109.51 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.4 -169.87 37.03 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 111.826 -0.51 . . . . 73.2 111.826 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.505 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 30.1 Cg_endo -63.8 141.12 77.22 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.465 2.11 . . . . 73.32 111.221 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -27.26 57.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.366 0.266 . . . . 71.14 111.591 -173.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 63.6 mm-40 -64.44 -49.37 71.73 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.887 0.851 . . . . 53.44 110.392 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.505 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.4 mp0 -75.05 -31.02 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.094 -0.957 . . . . 73.41 110.618 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.155 -0.683 . . . . 73.43 109.155 173.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 83' ' ' GLU . 19.1 t70 -59.73 -48.34 82.06 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.565 -0.743 . . . . 72.04 110.052 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.86 63.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.777 -0.647 . . . . 62.15 110.681 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.2 t80 -66.57 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.234 -0.894 . . . . 72.11 111.263 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.4 p -64.85 -35.25 74.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.915 0.388 . . . . 71.34 110.425 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.47 -37.36 77.26 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.331 -0.395 . . . . 73.32 110.445 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.46 -40.79 92.49 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.33 -0.619 . . . . 71.31 109.33 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -36.72 84.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.562 -0.745 . . . . 60.14 110.285 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.65 -29.17 67.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.297 -0.411 . . . . 73.34 110.16 176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.599 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.7 tpmt? -80.02 -37.32 34.33 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.829 -0.623 . . . . 75.41 109.892 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.86 -117.81 4.58 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.485 -0.779 . . . . 31.54 112.203 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -126.42 144.73 50.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.573 -0.528 . . . . 75.45 109.573 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.29 -15.43 49.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.972 1.782 . . . . 63.34 111.397 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 57.3 tptt -97.57 -26.63 14.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.107 -0.497 . . . . 75.23 110.888 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 p -142.67 129.57 20.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 65.2 110.993 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.6 t -87.11 152.63 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.061 -0.518 . . . . 74.34 109.831 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.12 131.55 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.98 0.419 . . . . 73.33 110.659 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 62.7 tttm -77.41 -51.1 11.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.643 -0.873 . . . . 64.2 108.643 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -162.91 148.51 12.01 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.111 -0.95 . . . . 72.44 109.467 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.26 143.83 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.52 110.398 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.408 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 37.7 m -133.53 126.97 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 74.04 109.66 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 36' ' ' LEU . 12.1 mm -117.72 155.93 19.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 51.3 t-80 -137.79 144.75 41.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.361 . . . . 63.51 110.734 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.37 6.46 1.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.11 1.522 . . . . 71.54 115.11 -170.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.593 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.64 133.49 56.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.581 0.628 . . . . 75.32 112.125 -167.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.1 p -69.43 178.32 2.49 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.189 -0.914 . . . . 61.2 112.504 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.427 ' HG3' HE21 ' A' ' 79' ' ' GLN . 45.1 ttp180 -52.82 138.2 30.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.723 . . . . 70.34 111.838 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.72 176.16 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.712 -0.676 . . . . 51.15 110.506 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.99 124.53 24.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.003 -0.544 . . . . 74.32 110.023 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 61.52 111.043 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 22.9 t70 -140.72 -51.72 0.47 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.915 -0.584 . . . . 74.33 110.404 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.98 141.32 3.33 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.044 -0.526 . . . . 52.42 112.564 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.38 112.61 21.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.504 -0.554 . . . . 64.33 109.504 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 14.9 pt-20 -156.29 169.67 24.03 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.386 -0.525 . . . . 71.34 110.56 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.609 HG23 ' HB2' ' A' ' 68' ' ' ASN . 36.6 mm -102.59 86.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.268 0.556 . . . . 71.13 110.172 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.489 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.9 mtt180 -87.4 144.24 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.78 -1.1 . . . . 61.44 109.794 175.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.292 -0.861 . . . . 75.33 109.846 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.643 0.259 . . . . 64.33 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 m -92.92 141.59 28.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.611 -0.515 . . . . 71.11 109.611 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.1 m -143.74 137.45 28.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.741 0.305 . . . . 74.11 110.779 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.09 140.98 29.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 70.33 109.339 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 43.6 t -91.29 136.68 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.422 -0.584 . . . . 71.23 109.422 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.54 141.63 44.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 74.21 110.756 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -150.38 110.42 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.454 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 104' ' ' VAL . 14.5 p -107.6 147.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 72.44 109.985 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.0 p -116.96 117.15 28.89 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.856 -0.794 . . . . 74.2 108.856 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.527 -0.844 . . . . 41.4 113.383 -174.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' HB3' ' CD1' ' A' ' 119' ' ' ILE . 35.7 t80 . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 108.22 -1.03 . . . . 63.04 108.22 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -54.35 97.09 0.02 OUTLIER 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.191 0.812 . . . . 70.11 113.191 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.737 ' HD3' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mmm180 -55.63 -29.19 58.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.114 -0.948 . . . . 70.43 111.086 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.63 -50.63 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 63.52 110.803 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.18 -32.02 49.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.843 -0.617 . . . . 73.2 110.524 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -61.45 -47.88 83.7 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.078 0.466 . . . . 73.23 110.009 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -62.74 -48.27 79.92 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.388 -0.824 . . . . 52.34 110.104 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 1.6 tmtm? -52.53 -51.7 58.36 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.31 -0.405 . . . . 65.33 110.48 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 4.5 tp10 -63.02 -58.61 6.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.939 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.496 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -63.59 -44.66 93.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.741 -0.663 . . . . 74.43 111.49 -175.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.59 -37.62 85.28 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.348 -0.387 . . . . 61.14 111.149 -177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.14 66.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.71 0.29 . . . . 73.43 111.475 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.8 -4.67 54.64 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.194 0.442 . . . . 74.52 112.194 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m 68.26 49.11 0.85 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.26 0.467 . . . . 74.53 112.26 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' HB3' HG13 ' A' ' 78' ' ' VAL . 2.8 mm? -97.89 133.7 42.02 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.762 -0.829 . . . . 73.12 108.762 168.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 79' ' ' GLN . 34.0 m -123.28 172.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.853 -0.425 . . . . 63.31 109.853 176.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 143.78 -120.98 1.56 Allowed Glycine 0 C--O 1.236 0.256 0 N-CA-C 111.163 -0.775 . . . . 63.55 111.163 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.589 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 150.66 6.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.089 0.444 . . . . 74.34 111.447 176.853 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.03 146.0 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 116.503 -0.317 . . . . 72.34 110.942 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -155.18 161.81 41.11 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.754 0.822 . . . . 62.0 109.178 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.639 ' HB2' HG23 ' A' ' 119' ' ' ILE . 28.4 t-20 -122.54 115.66 22.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.842 0.353 . . . . 73.4 110.594 -175.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.53 149.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 74.0 109.969 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.85 -38.93 52.05 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.284 0.476 . . . . 73.5 112.284 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.02 -19.83 62.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.568 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.54 -27.6 4.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 64.4 112.852 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -63.58 131.45 48.09 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.701 0.286 . . . . 74.3 110.824 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.508 ' HB ' HG12 ' A' ' 40' ' ' VAL . 36.2 t -103.36 132.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.263 -0.643 . . . . 61.55 109.263 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 p -130.64 152.78 49.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 50.11 110.759 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.51 -167.46 39.4 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.951 -0.568 . . . . 53.55 111.828 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 45.9 t -140.11 138.06 37.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 110.104 -0.332 . . . . 74.14 110.104 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 62' ' ' LEU . 75.0 t -116.44 137.82 48.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 O-C-N 123.703 0.627 . . . . 63.53 109.88 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.605 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.9 pt20 -142.55 127.34 18.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 75.34 109.942 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.99 -143.68 8.21 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.353 -0.699 . . . . 73.2 111.353 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.14 129.77 8.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.641 2.227 . . . . 73.32 111.296 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.46 -35.14 5.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.054 0.761 . . . . 71.14 113.054 -176.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 5.4 pt-20 -70.63 -44.2 67.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 53.44 111.394 -178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.412 ' HB3' HD21 ' A' ' 62' ' ' LEU . 2.2 mp0 -70.8 -34.3 71.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 73.41 110.39 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 89' ' ' VAL . 85.1 t -59.35 -45.75 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 109.192 -0.67 . . . . 73.43 109.192 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.46 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 8.6 t70 -55.0 -49.76 70.7 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.517 -0.765 . . . . 72.04 109.966 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.14 -39.0 66.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.526 -0.761 . . . . 62.15 111.036 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -70.53 -34.3 72.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 72.11 110.122 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.3 t -61.06 -43.66 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 121.245 0.545 . . . . 71.34 109.763 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.97 -38.79 92.54 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.68 -0.691 . . . . 73.32 110.283 177.327 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -59.78 -44.42 93.9 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.155 0.502 . . . . 71.31 109.735 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.521 HD12 ' HB ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -62.47 -35.61 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.557 -0.747 . . . . 60.14 110.663 178.227 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -73.0 -21.71 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 73.34 110.792 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 34.2 mmtp -83.12 -33.68 26.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.804 0.335 . . . . 75.41 110.118 175.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.13 -132.1 20.99 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.927 -0.579 . . . . 31.54 112.199 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.7 p -160.79 148.74 12.7 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 109.986 -0.376 . . . . 75.45 109.986 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.13 -55.78 0.88 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 124.519 3.479 . . . . 63.34 114.831 -173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -99.49 15.25 27.08 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.874 0.324 . . . . 75.23 111.874 -172.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -124.68 92.99 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.102 -0.703 . . . . 65.2 109.102 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.8 91.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 121.54 0.686 . . . . 74.34 110.591 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.459 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 27.0 m -69.09 143.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.873 -1.058 . . . . 73.33 111.0 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.39 -56.83 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 64.2 110.512 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -147.22 128.45 14.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.274 -0.421 . . . . 72.44 110.809 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.591 HG22 HG23 ' A' ' 40' ' ' VAL . 34.9 t -98.25 147.83 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.529 -0.545 . . . . 63.52 109.529 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -137.94 126.43 23.44 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 74.04 109.889 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 mm -112.65 152.21 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.757 -0.46 . . . . 72.12 109.757 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 33.4 t-80 -133.17 149.06 52.07 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.974 0.416 . . . . 63.51 110.918 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.43 6.08 1.53 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.066 1.506 . . . . 71.54 115.066 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -59.44 139.18 57.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.18 0.514 . . . . 75.32 112.367 -166.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.5 p -75.09 178.57 5.58 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.881 -1.054 . . . . 61.2 111.983 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 7.3 tmm_? -56.9 143.32 38.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.099 -0.501 . . . . 70.34 111.081 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.442 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 27.5 m -135.4 176.28 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 51.15 110.988 -171.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.55 122.09 28.09 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.488 -0.56 . . . . 74.32 109.488 171.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.7 127.09 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 61.52 110.952 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.589 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 21.3 t70 -101.62 -49.62 3.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.017 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.37 144.14 4.14 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.904 -0.589 . . . . 52.42 112.696 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.48 112.03 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.133 -0.692 . . . . 64.33 109.133 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.737 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 10.8 pt-20 -162.68 133.52 4.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.187 0.518 . . . . 71.34 111.064 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.639 HG23 ' HB2' ' A' ' 68' ' ' ASN . 42.5 mm -72.35 86.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.555 0.693 . . . . 71.13 110.839 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.524 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.1 mtt180 -84.43 141.1 31.06 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.082 -0.963 . . . . 61.44 110.363 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.472 -0.785 . . . . 75.33 109.854 -179.458 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.514 -0.418 0 N-CA-C 107.843 -1.169 . . . . 64.33 107.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -76.16 111.62 11.77 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.622 -0.717 . . . . 71.11 110.295 -167.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.541 HG23 ' HG2' ' A' ' 79' ' ' GLN . 58.7 m -114.82 133.63 55.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.02 -0.991 . . . . 74.11 109.872 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -139.32 132.19 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 70.33 109.517 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 42.1 t -88.02 133.81 33.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.431 -0.581 . . . . 71.23 109.431 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.44 148.76 32.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.998 0.427 . . . . 74.21 110.925 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -151.62 113.76 4.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.203 -0.908 . . . . 74.33 109.09 171.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.56 136.08 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.421 -0.585 . . . . 72.44 109.421 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 73' ' ' SER . 18.9 p -102.52 150.82 23.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.45 -0.574 . . . . 74.2 109.45 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 C-N-CA 121.014 -0.612 . . . . 41.4 111.839 179.296 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HB2' HG21 ' A' ' 74' ' ' VAL . 17.7 t80 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.759 0.314 . . . . 63.04 110.835 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.7 84.32 0.07 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.905 0.859 . . . . 70.11 112.567 -178.644 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.481 ' HB3' HG12 ' A' ' 119' ' ' ILE . 11.4 ptp85 -52.21 -39.54 60.34 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 114.29 -1.323 . . . . 70.43 112.026 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 31.6 mmtp -61.44 -57.86 10.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.039 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -30.42 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 73.2 110.516 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 m -57.85 -51.27 70.28 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.515 0.674 . . . . 73.23 110.091 172.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -65.23 -33.26 75.57 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.232 -0.895 . . . . 52.34 110.386 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.11 -48.35 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 65.33 110.483 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -56.66 -53.73 54.31 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 121.39 0.614 . . . . 63.1 109.613 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.426 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -56.92 -47.85 79.63 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.19 -0.914 . . . . 74.43 111.283 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -66.44 -32.92 74.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.424 -0.353 . . . . 61.14 111.066 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.47 -47.34 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.144 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -99.68 4.67 45.68 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.228 0.455 . . . . 74.52 112.228 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t 68.16 38.81 2.53 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.086 0.555 . . . . 74.53 111.571 171.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.83 133.73 35.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.029 -0.73 . . . . 73.12 109.029 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 79' ' ' GLN . 32.6 m -109.27 166.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.539 -0.541 . . . . 63.31 109.539 175.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.93 -139.35 8.65 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.934 -0.867 . . . . 63.55 110.934 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.33 157.89 11.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.776 0.288 . . . . 74.34 110.679 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.78 143.87 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.535 -0.302 . . . . 72.34 110.273 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.498 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.2 t -151.69 161.76 42.14 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.128 0.893 . . . . 62.0 110.308 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.506 ' HB2' HG23 ' A' ' 119' ' ' ILE . 23.0 t-20 -96.37 156.2 16.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.891 -0.411 . . . . 73.4 109.891 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -125.46 160.38 29.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.383 -0.371 . . . . 74.0 110.515 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.15 -12.13 47.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.976 -0.556 . . . . 73.5 111.039 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HB2' ' OG ' ' A' ' 73' ' ' SER . 3.0 m-20 -65.22 -15.63 62.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.347 174.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.99 19.53 61.0 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.226 -1.15 . . . . 64.4 110.226 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.634 ' HB3' HG22 ' A' ' 41' ' ' THR . 46.9 p -115.15 166.47 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.058 -0.571 . . . . 74.3 110.479 -176.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 48' ' ' PHE . 97.7 t -117.01 115.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.168 -0.679 . . . . 61.55 109.168 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -120.32 148.53 43.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.199 -0.455 . . . . 50.11 110.44 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.94 23.42 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.314 -0.714 . . . . 53.55 111.314 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -140.08 136.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.398 . . . . 74.14 109.927 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -112.13 141.6 27.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 108.97 -0.752 . . . . 63.53 108.97 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.1 mt-30 -141.02 125.89 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.687 -0.486 . . . . 75.34 109.687 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.68 -164.87 36.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 120.9 -0.667 . . . . 73.2 111.967 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 28.6 Cg_endo -63.64 135.66 50.1 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.62 2.213 . . . . 73.32 111.548 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -29.89 43.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.43 -0.35 . . . . 71.14 111.907 -172.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.03 -50.48 55.16 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.451 -0.341 . . . . 53.44 111.062 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -67.27 -31.29 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 73.41 110.254 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.07 -39.72 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.935 0.398 . . . . 73.43 110.016 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 89' ' ' VAL . 17.8 t70 -62.55 -36.97 84.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 72.04 109.629 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.58 ' O ' ' HE3' ' A' ' 90' ' ' LYS . . . -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.778 -0.646 . . . . 62.15 110.448 174.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.426 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.3 t80 -65.68 -47.11 76.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.387 -0.369 . . . . 72.11 110.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 86' ' ' ASP . 8.2 p -64.73 -34.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.407 -0.361 . . . . 71.34 110.289 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -53.38 -49.12 67.88 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 172.015 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.32 -43.94 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 71.31 110.925 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.8 95.16 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.335 -177.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -66.6 -8.7 28.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.105 -0.498 . . . . 73.34 111.924 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.38 -32.54 24.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 75.41 109.94 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.09 179.36 21.31 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.658 -0.701 . . . . 31.54 113.012 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.486 ' OG ' ' HB2' ' A' ' 99' ' ' SER . 3.8 p -75.28 141.08 73.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 122.282 0.233 . . . . 75.45 110.517 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 31.2 Cg_exo -59.56 -55.85 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.937 2.425 . . . . 63.34 113.364 -173.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -94.93 -17.85 21.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.544 -0.298 . . . . 75.23 111.768 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.486 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 10.4 m -100.23 127.48 46.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.456 -0.338 . . . . 65.2 110.396 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.49 136.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.385 0.612 . . . . 74.34 110.687 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.65 149.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.723 -1.126 . . . . 73.33 109.965 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -93.4 -54.71 3.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 64.2 110.352 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -162.06 144.83 11.61 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.283 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -113.61 135.52 52.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.53 -0.544 . . . . 63.52 109.53 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.6 m -137.61 140.65 41.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 74.04 110.337 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.2 mm -121.77 161.98 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 72.12 109.599 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 57.7 t-80 -142.29 147.92 37.19 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 63.51 110.652 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.69 1.16 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.199 1.185 . . . . 71.54 114.199 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 m -59.23 130.09 45.27 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.156 0.435 . . . . 75.32 111.846 -168.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 112' ' ' VAL . 23.1 t -78.2 178.66 7.42 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.379 -0.828 . . . . 61.2 111.785 -174.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HG3' HE21 ' A' ' 79' ' ' GLN . 51.8 ttp180 -47.13 130.72 12.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.867 0.867 . . . . 70.34 112.449 -172.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 110' ' ' SER . 30.5 m -129.07 176.33 8.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.286 -0.87 . . . . 51.15 110.105 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.97 114.45 13.46 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 110.067 -0.346 . . . . 74.32 110.067 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.22 169.7 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.981 -0.554 . . . . 61.52 110.528 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.94 -44.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.069 -0.252 . . . . 74.33 111.002 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.85 154.97 8.2 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.075 -1.06 . . . . 52.42 113.634 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -97.59 112.19 24.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.173 -0.677 . . . . 64.33 109.173 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.2 pt-20 -162.08 137.75 7.49 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.05 0.452 . . . . 71.34 110.716 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 68' ' ' ASN . 23.5 mm -69.41 86.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.529 0.68 . . . . 71.13 110.183 -176.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.501 ' HG3' ' HG3' ' A' ' 118' ' ' GLU . 59.1 mtt180 -85.66 138.23 32.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.88 -1.054 . . . . 61.44 110.952 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.445 -0.788 . . . . 75.33 109.5 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.031 0.443 . . . . 64.33 110.385 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -137.87 145.17 41.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 71.11 109.442 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -139.81 131.31 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 74.11 109.774 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.55 134.61 37.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.71 -0.478 . . . . 70.33 109.71 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.2 t -93.72 132.32 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.385 -0.598 . . . . 71.23 109.385 176.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.457 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 11.6 m-85 -111.85 150.89 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.201 0.524 . . . . 74.21 111.321 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -154.53 110.42 3.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.226 -0.897 . . . . 74.33 109.138 170.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.22 143.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.267 -0.642 . . . . 72.44 109.267 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.6 p -102.44 125.54 49.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.243 -0.435 . . . . 74.2 111.397 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 110.833 -0.907 . . . . 41.4 110.833 174.115 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HB2' HG21 ' A' ' 74' ' ' VAL . 3.2 t80 . . . . . 0 C--O 1.233 0.212 0 N-CA-C 109.995 -0.372 . . . . 63.04 109.995 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -63.83 93.1 0.08 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.454 0.645 . . . . 70.11 112.508 -177.549 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.79 -39.0 57.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.209 -0.905 . . . . 70.43 111.342 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -52.08 -61.1 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.582 -0.735 . . . . 63.52 110.97 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -70.39 -29.44 66.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.469 -0.787 . . . . 73.2 111.196 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -62.22 -53.35 56.45 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 120.973 0.416 . . . . 73.23 110.2 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -64.31 -45.69 86.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.681 -0.69 . . . . 52.34 109.833 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -57.6 -52.2 66.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.434 -0.348 . . . . 65.33 111.03 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.77 -54.94 31.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.704 -0.68 . . . . 63.1 110.574 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -59.75 -42.2 92.66 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.059 -0.518 . . . . 74.43 110.959 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.1 -39.57 93.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 61.14 111.006 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.82 -50.03 46.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 73.43 111.169 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.3 -6.0 59.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.603 -0.271 . . . . 74.52 111.442 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m 67.68 51.41 0.82 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.241 0.543 . . . . 74.53 111.756 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -89.16 144.26 26.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.041 -0.527 . . . . 73.12 109.843 174.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.8 m -119.09 155.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.901 -0.407 . . . . 63.31 109.901 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.81 -133.86 4.72 Favored Glycine 0 C--O 1.236 0.23 0 N-CA-C 111.462 -0.655 . . . . 63.55 111.462 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.0 156.46 10.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.012 0.406 . . . . 74.34 111.036 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 28.2 t -138.65 149.74 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.781 -0.451 . . . . 72.34 109.781 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.9 t -158.55 161.82 37.34 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.179 0.924 . . . . 62.0 109.819 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.693 ' HB2' HG23 ' A' ' 119' ' ' ILE . 26.9 t-20 -114.03 136.6 52.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.761 0.315 . . . . 73.4 110.351 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.46 161.63 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 74.0 110.351 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.59 -23.88 63.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.967 0.413 . . . . 73.5 110.559 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.05 -17.85 64.8 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 73.01 111.179 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.31 21.62 54.03 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.098 -0.801 . . . . 64.4 111.098 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -108.47 132.42 53.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.807 -0.442 . . . . 74.3 109.807 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 48' ' ' PHE . 25.4 t -92.63 114.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.957 -0.386 . . . . 61.55 109.957 -178.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -118.18 161.07 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.584 -0.28 . . . . 50.11 110.713 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.21 -168.83 41.73 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.682 -0.567 . . . . 53.55 111.682 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 46.2 t -139.1 139.75 39.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.748 -0.464 . . . . 74.14 109.748 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.0 145.48 27.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.644 -0.502 . . . . 63.53 109.644 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt-30 -138.84 146.03 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.471 -0.566 . . . . 75.34 109.471 -177.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.61 -170.34 29.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 73.2 111.868 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -62.5 149.54 90.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.443 2.096 . . . . 73.32 111.634 177.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.33 -48.19 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 71.14 111.445 -176.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -69.02 -33.95 74.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.521 -0.309 . . . . 53.44 111.588 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.535 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -74.14 -39.58 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 73.41 110.048 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.22 -36.13 74.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.515 -0.55 . . . . 73.43 109.515 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 31.0 t70 -63.87 -40.42 96.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 72.04 109.858 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.06 91.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 62.15 110.341 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 28.8 t80 -65.32 -42.62 92.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.442 -0.799 . . . . 72.11 111.497 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 86' ' ' ASP . 10.0 p -68.51 -39.4 80.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 C-N-CA 120.837 -0.345 . . . . 71.34 110.668 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 86' ' ' ASP . 5.6 mptp? -60.76 -38.4 85.07 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.661 -0.496 . . . . 73.32 109.661 173.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 88' ' ' PHE . 13.6 t80 -59.18 -43.51 92.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.807 -0.633 . . . . 71.31 110.492 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -33.49 76.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.969 -0.559 . . . . 60.14 110.239 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -76.92 -7.83 56.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.957 -0.565 . . . . 73.34 111.615 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.38 -45.05 73.78 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.818 -0.438 . . . . 75.41 109.818 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.75 148.55 5.76 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.725 -0.67 . . . . 31.54 112.02 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 51.1 m -78.64 126.41 82.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.082 -0.34 . . . . 75.45 110.082 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.34 -31.44 93.86 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.637 2.225 . . . . 63.34 112.546 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -95.34 -26.19 16.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.448 -0.342 . . . . 75.23 111.248 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.6 t -110.54 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 65.2 110.124 -175.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.13 129.68 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.892 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.78 149.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.93 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -98.3 -50.37 4.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.092 -0.504 . . . . 64.2 110.326 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 104' ' ' VAL . 22.8 tptm -158.74 138.38 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.527 -0.761 . . . . 72.44 110.158 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.443 ' O ' ' HE2' ' A' ' 103' ' ' LYS . 8.3 p -101.48 129.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.278 -0.638 . . . . 63.52 109.278 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -120.81 134.68 55.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.566 -0.531 . . . . 74.04 109.566 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -121.15 158.38 23.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 88.6 m-70 -139.84 154.54 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 63.51 110.813 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.22 5.99 24.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.753 -1.112 . . . . 71.54 113.559 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.9 m -59.73 134.42 57.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.15 0.5 . . . . 75.32 111.938 -167.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 m -71.77 178.16 3.79 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.003 -0.999 . . . . 61.2 112.164 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -47.0 138.75 6.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.587 -0.733 . . . . 70.34 112.664 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.2 176.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.868 -1.06 . . . . 51.15 109.293 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.49 120.82 28.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.022 -0.362 . . . . 74.32 110.022 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.26 141.13 55.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 61.52 111.152 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -124.14 -45.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 74.33 111.387 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.76 139.3 3.36 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.73 -0.748 . . . . 52.42 113.015 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.418 ' HA ' ' H ' ' A' ' 66' ' ' VAL . 14.8 m-85 -93.15 112.22 24.1 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.529 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 14.7 pt-20 -162.5 142.8 9.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.23 0.538 . . . . 71.34 110.938 175.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.693 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.4 mp -75.4 86.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.929 0.871 . . . . 71.13 108.753 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 44.3 mtt85 -72.39 135.9 45.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.347 -1.297 . . . . 61.44 110.752 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.656 -0.868 . . . . 75.33 108.656 178.531 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.103 0.478 . . . . 64.33 110.583 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -125.84 155.42 41.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 71.11 109.595 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -147.54 129.2 15.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.596 0.236 . . . . 74.11 111.042 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 78' ' ' VAL . 4.6 mp -147.6 150.62 34.79 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.25 -0.648 . . . . 70.33 109.25 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 70.0 m -92.41 141.65 28.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.721 0.295 . . . . 71.23 110.514 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.443 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.6 m-85 -112.94 139.97 48.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 74.21 110.682 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -150.09 113.17 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 74.33 109.697 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' HD11 ' A' ' 92' ' ' LEU . 7.6 p -113.36 143.49 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.311 -0.626 . . . . 72.44 109.311 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.559 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 27.0 p -107.06 155.17 20.13 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.35 -0.387 . . . . 74.2 110.01 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 0.142 0 C-N-CA 121.335 -0.46 . . . . 41.4 112.234 179.62 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.683 ' HB3' HG12 ' A' ' 119' ' ' ILE . 10.8 t80 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.042 -0.355 . . . . 63.04 110.042 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -61.14 85.51 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.678 0.622 . . . . 70.11 112.678 -177.326 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.658 ' HA ' HD13 ' A' ' 119' ' ' ILE . 3.2 ptp180 -52.39 -37.92 57.66 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.481 -0.781 . . . . 70.43 112.295 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -58.56 -49.71 76.44 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.712 0.292 . . . . 63.52 110.991 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -68.76 -31.65 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 73.2 110.54 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -60.11 -52.86 63.56 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.912 0.387 . . . . 73.23 110.521 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 49.7 mtpt -64.78 -40.2 94.86 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.896 -0.593 . . . . 52.34 110.2 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -58.77 -52.06 67.31 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.935 -0.575 . . . . 65.33 111.04 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.25 -53.71 48.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.808 -0.633 . . . . 63.1 110.418 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.49 84.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.651 -0.704 . . . . 74.43 110.839 -177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.89 -36.5 78.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 61.14 110.726 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.46 69.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.198 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.05 -4.65 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 74.52 111.217 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.1 t 68.52 40.12 1.99 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.835 0.35 . . . . 74.53 111.754 171.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.82 133.89 34.32 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.55 -0.537 . . . . 73.12 109.55 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -109.49 150.46 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.137 -0.69 . . . . 63.31 109.137 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.37 -135.8 5.25 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.764 -0.934 . . . . 63.55 110.764 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 145.4 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.492 0.646 . . . . 74.34 111.23 179.017 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 5.1 t -139.04 146.61 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 115.964 -0.562 . . . . 72.34 110.05 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.8 t -155.54 161.94 40.78 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 124.054 0.846 . . . . 62.0 109.413 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.835 ' HB2' HG23 ' A' ' 119' ' ' ILE . 55.1 t30 -108.5 163.35 13.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.062 -0.347 . . . . 73.4 110.062 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -130.71 141.9 50.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.989 -0.745 . . . . 74.0 108.989 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -58.92 -15.93 15.24 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.35 0.595 . . . . 73.5 110.371 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.92 -15.03 61.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.157 -0.928 . . . . 73.01 110.694 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.95 28.4 12.09 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.964 -0.562 . . . . 64.4 111.724 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -132.47 130.78 40.94 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.937 0.399 . . . . 74.3 110.902 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.3 t -101.49 117.68 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.094 -0.706 . . . . 61.55 109.094 174.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -127.94 155.51 44.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 50.11 111.621 -172.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.28 -166.34 38.28 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.966 -0.561 . . . . 53.55 112.075 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.533 HG22 ' SG ' ' A' ' 37' ' ' CYS . 48.8 t -133.09 139.69 48.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 122.62 0.368 . . . . 74.14 110.236 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 36' ' ' LEU . 9.9 p -115.07 136.4 51.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 109.675 -0.491 . . . . 63.53 109.675 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt-30 -139.69 140.78 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.395 -0.594 . . . . 75.34 109.395 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.54 -172.06 27.19 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.659 -0.576 . . . . 73.2 111.659 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.2 Cg_endo -56.22 126.92 23.94 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.569 2.18 . . . . 73.32 111.971 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.16 -31.96 2.69 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.883 0.698 . . . . 71.14 112.883 -176.526 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 6.3 pt-20 -70.42 -42.81 71.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.124 0.488 . . . . 53.44 110.994 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.456 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.2 mp0 -74.0 -29.76 62.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.894 -0.41 . . . . 73.41 109.894 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.44 -39.35 84.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.24 -0.652 . . . . 73.43 109.24 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.555 ' O ' HG12 ' A' ' 89' ' ' VAL . 23.3 t70 -64.18 -42.75 96.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.426 -0.807 . . . . 72.04 109.822 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.3 67.78 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.294 0.569 . . . . 62.15 110.466 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -69.3 -42.57 75.27 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.509 -0.769 . . . . 72.11 111.123 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 86' ' ' ASP . 8.8 p -66.17 -34.86 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 120.712 -0.395 . . . . 71.34 110.136 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 47.4 mmtm -59.67 -44.58 93.55 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.305 -0.628 . . . . 73.32 109.305 172.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -59.97 -44.73 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 71.31 110.72 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.418 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.91 -39.35 94.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 60.14 110.33 -177.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -61.84 -25.41 67.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.883 -0.598 . . . . 73.34 111.23 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.08 -30.38 70.88 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.122 0.487 . . . . 75.41 110.228 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.21 -168.65 47.69 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.596 -0.729 . . . . 31.54 113.039 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -72.85 148.32 89.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.957 -0.386 . . . . 75.45 109.957 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 34.1 Cg_endo -65.29 -52.1 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.269 1.979 . . . . 63.34 112.739 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.14 14.56 11.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.844 0.354 . . . . 75.23 111.353 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -123.14 145.85 48.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.651 -0.499 . . . . 65.2 109.651 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.76 129.39 39.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.515 -0.311 . . . . 74.34 110.987 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -81.24 149.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.31 175.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 17.9 ttmm -89.07 -55.06 3.83 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 64.2 109.533 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -167.63 143.95 4.16 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.867 -0.606 . . . . 72.44 110.093 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.48 141.59 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.871 -0.418 . . . . 63.52 109.871 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 m -137.79 137.58 38.34 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.943 -0.392 . . . . 74.04 109.943 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.7 mm -123.39 156.42 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.278 -0.638 . . . . 72.12 109.278 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 22.3 t-80 -135.62 145.3 46.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.012 0.434 . . . . 63.51 111.004 -177.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.43 6.16 1.95 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.353 1.242 . . . . 71.54 114.353 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.676 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 56.8 m -59.28 146.34 39.78 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.412 0.625 . . . . 75.32 112.396 -166.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -82.41 178.41 8.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.737 -1.12 . . . . 61.2 112.37 -171.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.93 140.21 31.54 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 70.34 112.381 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.6 176.21 7.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.321 -0.854 . . . . 51.15 109.382 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.7 130.03 34.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.994 -0.373 . . . . 74.32 109.994 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.63 165.48 24.64 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.942 -0.572 . . . . 61.52 111.02 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 29.3 t70 -147.4 -45.66 0.17 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.909 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 145.98 137.98 3.15 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.932 -0.652 . . . . 52.42 113.073 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.5 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 31.0 m-85 -87.15 111.93 21.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.22 -0.659 . . . . 64.33 109.22 174.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.7 pt-20 -163.05 132.18 4.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 71.34 110.206 170.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.6 mp -65.03 87.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.613 0.721 . . . . 71.13 110.233 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.566 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.7 mtt180 -84.39 144.83 28.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.549 -1.205 . . . . 61.44 110.405 175.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.884 -0.598 . . . . 75.33 110.254 178.377 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.939 -0.763 . . . . 64.33 108.939 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.3 m -104.1 122.14 44.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.334 -0.848 . . . . 71.11 109.94 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.559 HG23 ' HG2' ' A' ' 79' ' ' GLN . 88.6 m -109.98 123.07 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.895 -0.409 . . . . 74.11 109.895 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.2 mt -137.53 135.8 37.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.639 -0.504 . . . . 70.33 109.639 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 52.5 t -87.53 137.38 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.547 -0.538 . . . . 71.23 109.547 177.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.82 146.56 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.888 0.375 . . . . 74.21 110.003 -177.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -152.05 110.88 3.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 109.475 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -117.54 143.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.767 -0.457 . . . . 72.44 109.767 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 20.2 p -100.14 117.12 33.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.611 0.243 . . . . 74.2 110.546 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 111.025 -0.83 . . . . 41.4 111.025 177.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.499 ' HD2' HD11 ' A' ' 119' ' ' ILE . 24.5 t80 . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 110.258 -0.275 . . . . 63.04 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.38 90.52 2.67 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.899 0.703 . . . . 70.11 112.899 -175.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' HB2' HG12 ' A' ' 119' ' ' ILE . 13.7 ttm180 -57.09 -54.34 47.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.485 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.92 -51.29 58.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 63.52 111.301 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -65.54 -40.2 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 73.2 111.156 -175.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -60.53 -47.25 86.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.787 0.327 . . . . 73.23 111.306 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -63.8 -43.45 96.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.189 -0.46 . . . . 52.34 110.267 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.56 -47.13 87.56 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.539 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.57 -56.01 27.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.56 -0.745 . . . . 63.1 110.506 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.56 70.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 74.43 110.51 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.75 -35.52 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 61.14 111.026 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -40.81 66.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.127 -0.488 . . . . 73.43 111.788 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 59.0 mt -101.5 5.26 41.81 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.99 0.367 . . . . 74.52 111.99 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m 68.39 32.6 4.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.047 0.539 . . . . 74.53 112.225 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.72 133.65 35.37 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.5 -0.926 . . . . 73.12 108.5 170.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 79' ' ' GLN . 30.3 m -115.06 163.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.499 -0.556 . . . . 63.31 109.499 176.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 146.04 -141.52 9.73 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.15 -0.78 . . . . 63.55 111.15 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.49 152.67 22.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.914 0.357 . . . . 74.34 110.601 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.6 t -134.76 142.0 41.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 109.507 -0.553 . . . . 72.34 109.507 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 14.9 t -153.44 161.97 41.74 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.913 0.758 . . . . 62.0 110.282 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 3.2 t-20 -119.37 156.44 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.259 -0.645 . . . . 73.4 109.259 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 55.6 m-80 -132.74 167.04 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 74.0 110.821 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -54.99 -26.08 34.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.317 -0.856 . . . . 73.5 112.39 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.91 -12.46 59.51 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.272 -0.422 . . . . 73.01 111.638 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.64 5.92 81.02 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.06 -0.816 . . . . 64.4 111.06 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.403 ' HB3' HG22 ' A' ' 41' ' ' THR . 15.6 p -95.65 135.99 36.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.049 0.452 . . . . 74.3 110.593 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 48' ' ' PHE . 59.2 t -101.11 118.1 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 61.55 109.25 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -117.94 170.78 8.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.343 -0.389 . . . . 50.11 109.994 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.7 -165.19 38.27 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.587 -0.605 . . . . 53.55 111.587 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 60.6 t -140.66 136.15 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.019 0.409 . . . . 74.14 110.269 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.48 135.07 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.285 -0.635 . . . . 63.53 109.285 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' A' ' 35' ' ' THR . 2.0 mt-30 -137.04 127.34 26.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.711 -0.848 . . . . 75.34 108.711 -176.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.02 -163.42 31.39 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.408 -0.901 . . . . 73.2 112.862 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 15.5 Cg_endo -57.0 129.84 36.62 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.101 2.534 . . . . 73.32 112.102 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.58 -35.55 13.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 71.14 112.148 -175.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 7.4 pt-20 -70.35 -43.96 69.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.841 0.312 . . . . 53.44 111.841 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.3 mp0 -72.7 -33.05 66.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.494 0.188 . . . . 73.41 110.636 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 95.5 t -61.71 -45.24 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.996 -0.742 . . . . 73.43 108.996 172.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.61 -46.04 81.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.259 -0.882 . . . . 72.04 109.369 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.78 85.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.089 -0.96 . . . . 62.15 111.014 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -67.41 -35.83 80.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 72.11 109.894 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.0 t -62.77 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.192 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.1 -29.61 69.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.862 -0.608 . . . . 73.32 110.528 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.75 -41.95 64.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.613 -0.721 . . . . 71.31 110.135 173.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -37.87 88.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 60.14 109.544 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.48 -4.66 23.84 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.453 -0.794 . . . . 73.34 111.796 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -73.4 -34.57 65.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.522 -0.547 . . . . 75.41 109.522 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 170.97 46.41 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.6 -0.727 . . . . 31.54 112.721 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 19.9 m -60.0 147.88 78.8 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 122.403 0.281 . . . . 75.45 110.449 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.2 -50.57 13.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.703 2.269 . . . . 63.34 112.966 -173.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -113.33 -2.14 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 75.23 111.492 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.7 t -119.79 141.57 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.985 -0.376 . . . . 65.2 109.985 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.43 137.79 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.449 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 m -91.08 142.29 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.881 0.372 . . . . 73.33 110.136 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.479 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 23.6 tptm -91.05 -53.67 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 64.2 110.719 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -147.94 131.65 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.361 -0.381 . . . . 72.44 110.802 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.4 129.09 58.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 109.39 -0.596 . . . . 63.52 109.39 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 m -129.83 124.5 33.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.946 -0.39 . . . . 74.04 109.946 -173.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.9 mm -111.97 148.33 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 44.7 t-80 -132.94 151.75 52.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.208 0.527 . . . . 63.51 110.946 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.39 7.07 0.86 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.789 1.236 . . . . 71.54 114.188 -173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.0 m -59.27 141.48 54.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.251 0.548 . . . . 75.32 112.431 -162.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 m -74.42 174.77 8.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.042 -0.981 . . . . 61.2 112.109 -172.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.96 136.61 51.76 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.343 -0.844 . . . . 70.34 111.48 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 176.06 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.066 -0.516 . . . . 51.15 110.564 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.04 125.44 27.66 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.557 -0.534 . . . . 74.32 109.557 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.415 ' HB1' ' H ' ' A' ' 64' ' ' GLY . . . -97.72 -167.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 61.52 112.131 -174.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 73.12 44.88 0.31 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.024 -0.989 . . . . 74.33 110.953 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.16 37.21 1.96 Allowed Glycine 0 CA--C 1.508 -0.382 0 CA-C-N 115.574 -0.739 . . . . 52.42 112.771 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -72.94 112.4 8.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.071 -0.565 . . . . 64.33 110.762 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.5 169.38 20.42 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.768 0.318 . . . . 71.34 110.179 173.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.541 HG12 ' HB2' ' A' ' 50' ' ' ARG . 40.7 mm -103.55 85.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.014 -1.106 . . . . 71.13 108.014 167.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.533 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 28.1 ttt180 -80.69 111.89 17.55 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.219 -1.355 . . . . 61.44 110.748 -174.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.323 -0.846 . . . . 75.33 109.379 176.112 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.656 0.741 . . . . 64.33 109.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -81.55 134.09 35.46 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.937 -1.029 . . . . 71.11 110.113 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.413 HG23 ' HG2' ' A' ' 79' ' ' GLN . 87.3 m -125.55 130.15 51.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 74.11 110.246 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.6 mt -142.3 137.05 30.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 70.33 109.277 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.9 t -86.14 136.36 33.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.794 -0.447 . . . . 71.23 109.794 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -111.54 139.34 47.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.099 0.476 . . . . 74.21 110.644 -176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -151.5 111.03 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.473 -0.785 . . . . 74.33 109.567 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.73 139.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.984 -0.747 . . . . 72.44 108.984 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 p -91.33 128.26 37.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.782 -0.644 . . . . 74.2 110.646 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 CA-C-N 116.034 -0.53 . . . . 41.4 111.846 -178.44 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.506 ' HD2' HD11 ' A' ' 119' ' ' ILE . 19.0 t80 . . . . . 0 C--O 1.234 0.287 0 N-CA-C 109.371 -0.603 . . . . 63.04 109.371 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 82.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.271 0.471 . . . . 70.11 112.271 -175.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HG3' ' HA ' ' A' ' 118' ' ' GLU . 19.8 ttm180 -52.49 -45.32 66.14 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.884 -0.598 . . . . 70.43 110.772 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.41 -46.39 83.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.528 -0.76 . . . . 63.52 111.074 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 73.2 110.546 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 m -61.71 -37.43 84.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.158 0.504 . . . . 73.23 110.261 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -46.9 78.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.598 -0.728 . . . . 52.34 109.858 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.38 -52.25 66.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.828 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -57.41 11.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.555 -0.748 . . . . 63.1 110.278 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.373 -0.83 . . . . 74.43 111.242 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.78 -45.78 92.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.831 0.348 . . . . 61.14 110.804 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.61 -45.88 70.76 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.006 -0.543 . . . . 73.43 111.505 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 75.0 mt -79.41 -9.75 59.66 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.039 0.447 . . . . 74.52 110.683 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 68.19 42.03 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.309 -0.86 . . . . 74.53 111.932 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.78 133.46 35.64 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.685 -1.228 . . . . 73.12 107.685 165.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -114.98 172.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.121 -0.326 . . . . 63.31 110.121 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.69 -135.1 8.09 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.467 -1.053 . . . . 63.55 110.467 -175.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.461 ' HB2' ' H ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.23 152.19 7.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.315 0.558 . . . . 74.34 111.192 178.329 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.5 t -138.87 143.13 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.291 -0.413 . . . . 72.34 110.23 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 11.1 t -151.31 162.21 41.32 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.169 0.918 . . . . 62.0 110.293 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -105.46 123.77 48.44 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.602 -0.518 . . . . 73.4 109.602 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.492 ' N ' HD22 ' A' ' 68' ' ' ASN . 21.1 m120 -76.72 150.04 36.31 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.983 -0.377 . . . . 74.0 109.983 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.16 -28.37 64.67 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.453 0.471 . . . . 73.5 112.052 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.11 -19.67 61.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.662 0.268 . . . . 73.01 110.664 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.26 -33.6 3.61 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 121.12 -0.562 . . . . 64.4 112.837 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -64.91 145.32 56.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.732 0.301 . . . . 74.3 111.695 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.67 138.46 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.936 -0.764 . . . . 61.55 108.936 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -143.36 166.64 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 50.11 111.144 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.03 -166.15 38.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.497 -0.641 . . . . 53.55 111.497 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -137.18 141.59 39.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.958 0.379 . . . . 74.14 110.017 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -118.29 143.34 29.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 123.622 0.576 . . . . 63.53 110.0 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 35' ' ' THR . 1.2 mt-30 -143.07 140.91 31.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.154 -0.684 . . . . 75.34 109.154 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.1 30.1 Favored Glycine 0 CA--C 1.516 0.103 0 C-N-CA 120.656 -0.783 . . . . 73.2 112.627 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.7 Cg_endo -56.53 138.59 85.05 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.032 2.488 . . . . 73.32 111.413 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HD2' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -68.19 -23.83 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 71.14 110.76 -169.581 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 82' ' ' LYS . 1.9 pm0 -70.23 -40.58 74.39 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.289 0.566 . . . . 53.44 110.354 176.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.552 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -73.88 -32.15 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.657 -0.702 . . . . 73.41 110.285 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 81' ' ' PRO . 95.9 t -66.03 -39.75 85.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.717 -0.475 . . . . 73.43 109.717 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.21 -40.73 97.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.919 -0.582 . . . . 72.04 109.556 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.49 95.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.575 -0.739 . . . . 62.15 110.578 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 13.3 t80 -69.74 -47.11 64.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 72.11 110.517 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.33 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 71.34 110.398 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.57 -47.58 84.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 73.32 109.672 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.46 -41.85 86.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.047 -0.979 . . . . 71.31 110.8 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -34.28 76.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 60.14 110.271 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -61.04 -20.67 62.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.416 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -60.41 -42.73 96.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.012 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.23 -148.8 19.51 Favored Glycine 0 C--O 1.229 -0.197 0 CA-C-N 116.059 -0.519 . . . . 31.54 111.927 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 49.2 m -134.35 136.21 25.42 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 117.007 0.404 . . . . 75.45 110.729 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 2.9 Cg_exo -76.79 -36.06 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.646 2.23 . . . . 63.34 112.764 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -87.19 -16.57 34.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 75.23 111.641 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.6 m -137.72 147.94 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.694 0.283 . . . . 65.2 110.896 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.87 113.24 25.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.076 -0.511 . . . . 74.34 110.923 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -85.55 139.27 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.324 -0.621 . . . . 73.33 109.324 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.664 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -88.58 -45.88 9.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.532 -0.304 . . . . 64.2 110.843 -178.233 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -167.66 138.85 2.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.74 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.57 140.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.492 -0.558 . . . . 63.52 109.492 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.8 m -138.1 134.78 35.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 110.115 -0.328 . . . . 74.04 110.115 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mm -120.37 149.01 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.284 -0.636 . . . . 72.12 109.284 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 29.2 m170 -129.42 154.12 47.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.038 0.447 . . . . 63.51 110.798 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.79 6.08 2.19 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.558 1.143 . . . . 71.54 113.994 -171.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 m -59.76 130.29 46.08 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.415 0.626 . . . . 75.32 111.738 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 p -82.39 178.43 8.24 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.974 -1.012 . . . . 61.2 112.303 -171.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -42.89 125.52 3.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.835 -1.075 . . . . 70.34 112.978 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.68 176.25 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.633 -0.712 . . . . 51.15 110.23 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.91 133.04 33.97 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.503 -0.555 . . . . 74.32 109.503 173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.61 146.57 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.063 0.394 . . . . 61.52 112.063 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 10.4 m-20 -120.24 -53.54 2.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.023 -0.535 . . . . 74.33 110.429 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.461 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.36 149.57 5.1 Favored Glycine 0 C--O 1.238 0.355 0 C-N-CA 121.176 -0.535 . . . . 52.42 112.528 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -92.66 112.52 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.808 -0.441 . . . . 64.33 109.808 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.45 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 13.9 pt-20 -158.93 126.59 4.97 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.744 0.307 . . . . 71.34 110.343 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.506 HD11 ' HD2' ' A' ' 48' ' ' PHE . 38.3 mm -66.95 85.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 71.13 109.187 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.473 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 33.6 ttt180 -89.86 124.89 35.08 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.734 -1.121 . . . . 61.44 110.274 -175.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.697 -0.668 . . . . 75.33 109.601 177.095 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.865 0.364 . . . . 72.33 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.81 127.05 33.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.698 -0.482 . . . . 63.04 109.698 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -151.51 120.66 6.74 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.16 -0.311 . . . . 73.32 110.16 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.55 155.31 31.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.711 -0.478 . . . . 74.33 109.711 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -117.52 148.01 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.551 -0.295 . . . . 72.12 110.536 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -91.09 177.18 6.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 74.41 111.103 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -154.98 143.13 20.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.886 -0.597 . . . . 74.24 109.659 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -162.25 148.8 13.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.605 0.241 . . . . 71.51 110.773 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.75 174.09 11.1 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.037 -0.529 . . . . 63.23 109.818 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.39 -159.46 13.54 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.323 0.389 . . . . 74.43 112.138 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -137.36 -178.64 5.31 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.705 0.288 . . . . 73.24 110.781 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -123.51 119.51 30.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.455 -0.339 . . . . 73.43 110.695 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.54 104.81 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.689 -0.486 . . . . 62.32 109.689 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.63 -178.4 6.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.087 -0.506 . . . . 75.13 111.858 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -127.94 149.79 50.17 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.002 -0.544 . . . . 73.33 110.568 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 p -97.63 111.96 24.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 72.31 109.757 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -74.78 120.17 19.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.874 0.369 . . . . 71.34 110.71 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 175.96 53.8 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.07 -0.514 . . . . 71.43 113.095 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -95.63 -155.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.573 2.849 . . . . 74.15 112.595 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.5 179.72 29.61 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.651 -0.979 . . . . 74.25 110.651 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.1 m -152.47 109.61 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.595 0.697 . . . . 73.15 111.428 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 88.2 mtp -144.67 -171.9 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.237 -1.023 . . . . 73.31 108.237 173.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -178.84 147.44 0.37 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.493 0.187 . . . . 74.11 110.617 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.06 114.43 0.61 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 111.534 -0.627 . . . . 71.41 111.534 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 p -148.22 123.2 10.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.662 0.231 . . . . 60.0 111.023 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.5 mtt -139.03 121.65 10.49 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.146 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.17 106.1 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.235 1.957 . . . . 74.34 110.518 172.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.3 t -108.49 172.04 7.07 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.105 -0.498 . . . . 70.24 110.469 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 m -123.89 -0.15 8.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.914 -0.584 . . . . 73.11 110.087 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.64 ' O ' HG12 ' A' ' 33' ' ' VAL . 15.5 m -66.51 142.23 57.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.989 -0.551 . . . . 75.4 110.846 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.75 -26.09 5.17 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.081 0.553 . . . . 62.5 112.064 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.09 -23.31 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.499 0.555 . . . . 74.21 112.499 -173.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 30' ' ' SER . 9.4 p -64.71 106.97 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.97 0.891 . . . . 64.33 110.703 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.4 m -100.01 155.01 17.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.751 -1.113 . . . . 71.11 110.966 -173.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.4 m -148.71 131.83 16.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.509 -0.314 . . . . 74.11 110.504 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -144.1 145.18 31.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.626 -0.509 . . . . 70.33 109.626 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 78.3 m -85.77 138.35 32.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.056 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -111.88 144.25 41.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.628 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -155.2 111.64 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.27 -0.641 . . . . 74.33 109.27 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.437 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.9 p -115.11 145.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.365 -0.379 . . . . 72.44 110.264 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p -103.83 146.67 28.29 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.791 -0.818 . . . . 74.2 108.791 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.17 162.15 26.01 Favored Glycine 0 C--O 1.234 0.102 0 C-N-CA 120.252 -0.975 . . . . 41.4 113.321 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -68.08 147.28 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.704 -0.48 . . . . 54.14 109.704 175.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.8 m -81.47 77.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.912 0.863 . . . . 73.31 109.475 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -137.77 -53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.965 -1.016 . . . . 75.34 110.245 -174.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.48 154.71 25.72 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 111.744 -0.542 . . . . 52.52 111.744 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.8 m -79.23 171.79 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.941 0.401 . . . . 73.2 111.463 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' HB3' HG12 ' A' ' 119' ' ' ILE . 4.6 t80 -77.55 127.39 32.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.351 -0.84 . . . . 63.04 109.915 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.453 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -69.78 96.4 0.98 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.121 0.415 . . . . 70.11 112.121 -177.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.609 ' NH1' ' HB3' ' A' ' 118' ' ' GLU . 9.4 ttt85 -51.81 -28.91 17.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.056 -0.52 . . . . 70.43 110.439 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.16 -68.9 0.13 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.583 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -69.62 -30.65 68.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.506 . . . . 73.2 111.239 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.6 m -63.73 -51.05 66.69 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.924 0.393 . . . . 73.23 110.628 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -70.83 -37.21 73.18 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.737 -0.468 . . . . 52.34 109.737 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' A' ' 55' ' ' LYS . 8.5 mtpm? -57.54 -42.24 82.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.067 -0.346 . . . . 65.33 110.067 175.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.41 -53.47 56.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.907 -0.588 . . . . 63.1 110.054 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -60.12 -42.65 95.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.571 -0.741 . . . . 74.43 111.354 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -67.2 -38.34 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 61.14 110.826 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.64 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 73.43 111.084 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.63 -3.56 58.21 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.101 -0.499 . . . . 74.52 111.46 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t 68.38 42.43 1.63 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.914 0.388 . . . . 74.53 111.51 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.84 144.21 27.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.911 0.386 . . . . 73.12 110.312 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.9 m -120.76 161.94 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 63.31 109.284 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.47 -135.16 5.82 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.392 -0.683 . . . . 63.55 111.392 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.03 147.2 5.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.089 0.444 . . . . 74.34 111.307 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.3 t -138.81 145.29 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.486 -0.324 . . . . 72.34 110.617 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.671 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.7 t -156.77 161.8 39.77 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 62.0 110.422 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.719 ' HB2' HG23 ' A' ' 119' ' ' ILE . 57.3 t30 -94.65 154.4 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.662 -0.866 . . . . 73.4 108.662 173.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -118.18 158.75 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.676 0.274 . . . . 74.0 110.886 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.13 -21.92 66.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.92 -0.582 . . . . 73.5 109.728 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -19.61 66.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.567 -0.742 . . . . 73.01 110.199 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.3 -35.1 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.541 -0.754 . . . . 64.4 111.37 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.8 p -69.44 152.16 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.144 0.497 . . . . 74.3 111.726 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -102.25 119.24 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.102 -0.703 . . . . 61.55 109.102 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -120.95 172.22 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 50.11 110.89 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.73 -164.33 36.29 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.611 -0.596 . . . . 53.55 111.611 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -140.63 136.72 35.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 116.953 0.376 . . . . 74.14 110.039 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.7 t -112.14 136.69 47.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 O-C-N 123.559 0.537 . . . . 63.53 110.183 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.6 mt-30 -135.69 148.96 49.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 75.34 109.365 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.01 -170.61 28.63 Favored Glycine 0 CA--C 1.511 -0.196 0 N-CA-C 111.041 -0.824 . . . . 73.2 111.041 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 9.7 Cg_endo -54.13 142.49 66.36 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 121.99 1.793 . . . . 73.32 111.307 175.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -43.8 -51.99 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.463 -0.789 . . . . 71.14 111.16 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 5.9 pt-20 -70.71 -31.68 68.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 53.44 112.124 -171.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.561 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -73.06 -38.79 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 73.41 110.357 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -57.77 -41.61 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 108.736 -0.838 . . . . 73.43 108.736 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 8.0 t70 -57.75 -46.09 84.98 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.357 -0.838 . . . . 72.04 110.19 173.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.12 75.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.041 0.448 . . . . 62.15 110.519 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -69.49 -42.95 74.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.726 -0.67 . . . . 72.11 110.845 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 86' ' ' ASP . 7.4 p -67.72 -35.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 71.34 110.435 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 31.1 mmtp -64.63 -39.28 93.42 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.45 -0.574 . . . . 73.32 109.45 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -61.47 -42.46 98.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.728 -0.669 . . . . 71.31 109.857 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.437 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.74 -31.49 72.69 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.85 -0.614 . . . . 60.14 110.416 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -64.89 -29.19 70.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.997 0.427 . . . . 73.34 110.624 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.88 -35.97 20.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.966 -0.561 . . . . 75.41 109.779 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.37 -162.92 39.83 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.419 -0.809 . . . . 31.54 111.818 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.522 ' HB3' ' OG ' ' A' ' 99' ' ' SER . 15.4 t -81.78 140.55 47.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.644 -0.873 . . . . 75.45 108.644 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -48.58 -35.57 29.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.257 2.638 . . . . 63.34 113.59 -173.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.76 14.29 25.67 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.064 0.394 . . . . 75.23 112.064 -174.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 96' ' ' SER . 78.0 p -115.07 102.65 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.659 -0.497 . . . . 65.2 109.659 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.41 99.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 74.34 110.184 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.66 131.67 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.852 -0.613 . . . . 73.33 110.896 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -84.23 -57.97 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 64.2 110.401 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -153.7 137.44 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 72.44 109.87 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -100.44 140.52 19.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 109.959 -0.386 . . . . 63.52 109.959 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 m -137.74 121.99 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.92 -0.4 . . . . 74.04 109.92 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.0 mm -113.28 160.47 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.182 -0.673 . . . . 72.12 109.182 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 23.6 t-80 -139.31 144.52 38.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.145 0.498 . . . . 63.51 110.721 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 6.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.599 1.333 . . . . 71.54 114.599 -171.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.661 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.3 130.22 45.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.518 0.675 . . . . 75.32 111.628 -166.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.7 t -69.38 178.51 2.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.401 -1.272 . . . . 61.2 111.759 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -43.21 130.28 4.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.939 -1.028 . . . . 70.34 112.957 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.09 176.3 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.777 -1.102 . . . . 51.15 108.729 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -98.62 121.43 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.26 -0.274 . . . . 74.32 110.26 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.74 151.89 10.43 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.999 -0.546 . . . . 61.52 112.012 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -135.89 -38.21 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.363 -0.381 . . . . 74.33 111.59 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 144.85 142.32 3.84 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.585 -0.817 . . . . 52.42 113.49 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -93.69 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.516 -0.55 . . . . 64.33 109.516 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.609 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 11.5 pt-20 -162.79 120.35 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 71.34 111.088 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.719 HG23 ' HB2' ' A' ' 68' ' ' ASN . 2.1 mp -64.75 86.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.527 0.679 . . . . 71.13 110.017 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.671 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.5 mtt180 -78.31 139.02 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.044 -0.98 . . . . 61.44 110.255 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 115.414 -0.812 . . . . 75.33 109.696 -172.481 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.892 0.377 . . . . 72.33 110.228 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.73 59.19 5.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.986 0.422 . . . . 63.04 110.559 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -64.45 95.49 0.14 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.827 -0.624 . . . . 73.32 110.223 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -94.72 167.05 11.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.627 -0.715 . . . . 74.33 110.399 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -140.42 138.98 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 72.12 109.875 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -61.18 117.78 6.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.966 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -109.3 11.22 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.313 0.486 . . . . 74.24 112.313 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -80.9 103.96 11.08 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.436 -0.579 . . . . 71.51 109.436 172.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.2 tpp -67.89 -60.78 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 63.23 110.242 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.88 149.21 9.81 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.447 -0.882 . . . . 74.43 113.197 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -143.79 115.41 8.15 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.066 0.546 . . . . 73.24 110.129 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -102.34 99.85 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 73.43 109.637 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -136.28 138.92 42.26 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.078 -0.51 . . . . 62.32 110.823 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.68 -166.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 75.13 109.377 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -151.26 -175.81 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.87 -0.419 . . . . 73.33 109.87 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.4 t -148.39 170.46 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 72.31 109.74 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -115.22 175.24 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 71.34 110.67 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.04 168.38 22.01 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 111.359 -0.696 . . . . 71.43 111.359 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.54 -43.72 9.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.596 2.197 . . . . 74.15 112.466 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.89 -73.31 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.025 -0.607 . . . . 74.25 111.809 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 p 46.97 24.63 0.38 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.869 0.867 . . . . 73.15 112.937 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 22' ' ' MET . 0.4 OUTLIER -83.75 128.15 34.32 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.956 -0.387 . . . . 73.31 109.956 179.309 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -150.73 150.41 31.01 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.03 -0.532 . . . . 74.11 110.194 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.43 90.99 0.97 Allowed Glycine 0 C--N 1.329 0.181 0 C-N-CA 121.246 -0.502 . . . . 71.41 112.638 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -147.36 121.79 9.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.826 -0.435 . . . . 60.0 109.826 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.4 mtt -100.98 148.12 34.65 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 116.416 -0.356 . . . . 62.34 110.677 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.37 -171.11 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.044 2.496 . . . . 74.34 112.726 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 t -138.34 153.07 48.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.956 -0.565 . . . . 70.24 110.099 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -70.56 158.64 35.78 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.623 -0.51 . . . . 73.11 109.623 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.3 t -99.28 -54.75 2.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.868 0.366 . . . . 75.4 110.888 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.3 112.77 9.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.152 -0.477 . . . . 62.5 110.566 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.44 -31.51 21.36 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.612 -0.514 . . . . 74.21 109.612 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p -100.01 150.02 5.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.875 -0.602 . . . . 64.33 110.213 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -118.8 138.79 52.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 71.11 109.614 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -143.45 133.8 24.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.812 -0.44 . . . . 74.11 109.812 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.14 135.33 28.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 70.33 109.531 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 84.8 m -88.19 135.12 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.226 -0.657 . . . . 71.23 109.226 175.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.73 146.77 36.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.076 0.465 . . . . 74.21 111.007 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -153.47 110.77 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.491 -0.929 . . . . 74.33 108.491 169.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 p -120.12 148.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.939 0.399 . . . . 72.44 110.896 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 31.1 p -101.19 148.27 25.29 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.513 ' HA3' HG22 ' A' ' 47' ' ' VAL . . . -121.06 146.47 17.42 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.893 -0.67 . . . . 41.4 112.926 -177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -63.98 -36.14 82.98 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.366 0.603 . . . . 54.14 110.051 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.22 167.4 15.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.367 -0.833 . . . . 73.31 109.436 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -67.56 -26.62 66.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.09 0.471 . . . . 75.34 110.857 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.41 59.03 4.96 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.061 -0.816 . . . . 52.52 111.061 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG12 ' HD1' ' A' ' 48' ' ' PHE . 19.2 t -63.58 -49.42 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.014 0.435 . . . . 73.2 111.505 -173.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.575 ' HD1' HG12 ' A' ' 47' ' ' VAL . 3.4 m-85 -126.93 140.11 52.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.873 -0.603 . . . . 63.04 111.136 -174.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.48 ' HD2' ' HB3' ' A' ' 96' ' ' SER . 81.0 m-85 -97.84 116.19 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 70.11 109.366 173.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -49.26 -41.1 36.75 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.239 0.615 . . . . 70.43 111.48 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -63.1 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 63.52 110.983 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.11 -38.09 63.93 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.475 -0.33 . . . . 73.2 110.555 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -60.58 -47.07 87.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.158 -0.474 . . . . 73.23 109.916 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? -66.34 -42.82 87.58 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 115.804 -0.634 . . . . 52.34 110.683 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.96 -52.38 58.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.062 0.458 . . . . 65.33 110.509 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -62.27 -52.04 65.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.331 -0.85 . . . . 63.1 110.529 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.95 97.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.542 -0.754 . . . . 74.43 111.43 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.88 -46.32 72.03 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.929 0.395 . . . . 61.14 110.45 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.12 74.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.834 -0.621 . . . . 73.43 111.597 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.72 -11.58 50.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.248 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.7 m 67.84 51.9 0.76 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.353 0.596 . . . . 74.53 111.721 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.74 136.91 32.76 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.672 -0.694 . . . . 73.12 109.355 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 79' ' ' GLN . 22.8 m -111.29 158.78 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.195 -0.668 . . . . 63.31 109.195 175.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.62 -134.25 5.39 Favored Glycine 0 C--O 1.237 0.336 0 N-CA-C 110.852 -0.899 . . . . 63.55 110.852 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 151.34 6.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.087 0.444 . . . . 74.34 111.299 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.9 t -138.88 142.88 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 72.34 110.153 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 15.2 t -154.34 162.01 41.42 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 123.998 0.811 . . . . 62.0 110.436 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' HB2' HG23 ' A' ' 119' ' ' ILE . 12.0 t-20 -98.0 155.09 17.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.901 0.481 . . . . 73.4 111.075 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 13.5 m120 -117.24 161.05 20.11 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.198 -0.456 . . . . 74.0 110.413 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -53.5 -43.27 68.13 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.467 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.37 14.12 0.27 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.68 0.622 . . . . 73.01 112.68 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.11 33.82 61.96 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.281 -0.728 . . . . 64.4 111.281 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 69' ' ' ASN . 14.5 m -109.32 171.64 7.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.429 -0.386 . . . . 74.3 110.15 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.53 114.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.079 -0.711 . . . . 61.55 109.079 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.4 p -111.9 162.68 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 50.11 110.529 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.8 -166.21 38.45 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 53.55 112.502 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.405 HG22 ' SG ' ' A' ' 37' ' ' CYS . 57.9 t -138.16 137.27 44.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.832 -0.432 . . . . 74.14 109.832 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.56 138.58 45.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 109.493 -0.558 . . . . 63.53 109.493 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.9 mt-30 -138.57 134.4 33.78 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.787 -0.449 . . . . 75.34 109.787 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.93 -170.01 35.99 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.241 -0.744 . . . . 73.2 111.241 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.4 Cg_endo -65.51 146.89 86.06 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.143 1.895 . . . . 73.32 111.296 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -46.67 -46.92 20.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 122.951 0.5 . . . . 71.14 111.374 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -43.78 88.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.365 -0.379 . . . . 53.44 111.621 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.488 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.5 mp0 -74.44 -36.18 63.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.586 0.231 . . . . 73.41 110.816 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.05 -34.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.361 -0.607 . . . . 73.43 109.361 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 10.4 t70 -67.08 -39.86 86.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.138 -0.937 . . . . 72.04 109.957 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.27 91.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.229 0.538 . . . . 62.15 110.281 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -66.63 -50.42 63.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.343 -0.844 . . . . 72.11 110.538 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 86' ' ' ASP . 9.8 p -63.04 -35.0 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 71.34 109.989 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -60.27 -45.62 92.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.56 -0.745 . . . . 73.32 109.488 177.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -65.04 -39.4 93.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 71.31 110.275 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -40.11 91.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 60.14 110.389 -177.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.69 -28.78 67.59 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.206 0.526 . . . . 73.34 110.398 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -83.16 -37.54 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.457 -0.792 . . . . 75.41 109.48 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.58 -164.24 51.99 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.197 -1.161 . . . . 31.54 110.197 -169.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.617 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 69.1 m -71.52 135.14 84.02 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.403 -0.962 . . . . 75.45 108.403 171.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.02 -23.24 5.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.27 2.647 . . . . 63.34 114.575 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -117.79 10.2 13.19 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.077 0.399 . . . . 75.23 112.077 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 96' ' ' SER . 7.5 p -140.69 108.86 5.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.099 0.476 . . . . 65.2 110.355 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.3 t -77.48 138.59 20.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.715 -0.675 . . . . 74.34 111.48 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.3 m -91.05 146.21 6.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.559 . . . . 73.33 110.729 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 86.5 tttt -73.39 -53.14 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 64.2 110.333 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -168.16 140.18 2.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.038 -0.528 . . . . 72.44 110.397 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -98.79 148.53 6.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.85 0.357 . . . . 63.52 110.87 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 m -135.33 132.95 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.317 -0.623 . . . . 74.04 109.317 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.8 mm -125.5 153.25 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.655 0.265 . . . . 72.12 110.963 -173.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.6 m170 -132.65 153.99 50.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.802 0.334 . . . . 63.51 110.456 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.54 5.98 22.14 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.849 1.055 . . . . 71.54 113.849 -167.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.723 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.1 m -59.83 137.69 57.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.156 0.503 . . . . 75.32 111.974 -167.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -80.25 178.69 8.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.867 -1.061 . . . . 61.2 111.883 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.83 142.36 11.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.111 -0.949 . . . . 70.34 112.446 -172.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.28 176.29 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.681 -1.145 . . . . 51.15 109.183 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.16 131.65 35.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.629 -0.508 . . . . 74.32 109.629 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.9 153.74 30.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 61.52 111.786 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.39 -50.48 2.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.044 -0.525 . . . . 74.33 110.224 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 146.86 151.62 5.46 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.935 -0.65 . . . . 52.42 113.055 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -93.95 112.32 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.624 -0.51 . . . . 64.33 109.624 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.72 131.17 3.97 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.039 0.447 . . . . 71.34 110.634 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.443 HG23 ' HB2' ' A' ' 68' ' ' ASN . 36.4 mm -68.02 86.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.421 0.629 . . . . 71.13 110.579 -176.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.524 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 77.7 mtt180 -90.31 144.54 25.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.273 -0.876 . . . . 61.44 110.305 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.498 -0.763 . . . . 75.33 109.46 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.905 0.383 . . . . 72.33 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.9 30.1 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 63.04 110.775 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -66.38 83.8 0.09 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.306 -0.406 . . . . 73.32 110.261 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -86.05 141.99 29.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 74.33 109.836 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -120.75 143.18 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.765 0.317 . . . . 72.12 110.325 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -128.79 108.63 10.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 74.41 109.829 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -155.58 142.21 18.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.445 -0.343 . . . . 74.24 110.25 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.86 155.49 26.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.546 . . . . 71.51 110.382 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.67 177.16 3.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.091 -0.504 . . . . 63.23 109.994 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.66 172.15 33.26 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.282 -0.485 . . . . 74.43 112.271 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -148.13 157.12 43.33 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.069 0.548 . . . . 73.24 109.634 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.6 tp -69.43 -27.18 65.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.366 0.603 . . . . 73.43 109.559 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.25 102.55 1.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.387 -0.824 . . . . 62.32 110.25 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.13 152.68 33.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.13 109.821 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -156.16 176.98 11.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.935 0.398 . . . . 73.33 111.096 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -166.31 122.91 1.3 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.498 -0.774 . . . . 72.31 109.426 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -167.78 168.88 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 71.34 110.798 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.86 166.82 43.36 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.392 -0.683 . . . . 71.43 111.392 173.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.99 1.17 8.49 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.769 2.313 . . . . 74.15 112.558 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.13 44.01 6.11 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.098 -0.572 . . . . 74.25 111.767 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -124.68 105.36 9.26 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 110.095 -0.335 . . . . 73.15 110.095 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -138.26 148.93 45.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 73.31 110.149 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -113.29 101.47 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.565 -0.531 . . . . 74.11 109.565 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.83 -47.23 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.317 0 N-CA-C 109.957 -1.257 . . . . 71.41 109.957 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -88.39 166.57 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.443 -0.947 . . . . 60.0 108.443 167.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.456 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 26.2 ptt? -77.1 109.47 9.21 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.456 -0.572 . . . . 62.34 109.456 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 16.4 Cg_exo -67.7 110.89 2.22 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.828 2.352 . . . . 74.34 112.65 -173.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -91.64 150.2 21.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.602 -0.727 . . . . 70.24 109.347 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 m -59.77 101.72 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.268 0.556 . . . . 73.11 110.683 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -73.52 -24.22 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.434 -0.803 . . . . 75.4 111.136 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 1.1 pm0 -81.53 95.18 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.323 0.582 . . . . 62.5 109.673 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.8 -31.85 69.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.652 -0.704 . . . . 74.21 110.226 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.3 120.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.305 -0.998 . . . . 64.33 108.305 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -76.85 111.12 12.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.452 . . . . 71.11 110.017 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 79' ' ' GLN . 55.8 m -118.1 126.26 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.543 -0.753 . . . . 74.11 110.431 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.06 134.9 28.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.889 -0.782 . . . . 70.33 108.889 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 44.1 m -87.0 138.29 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.008 -0.367 . . . . 71.23 110.008 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -111.79 140.04 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 74.21 110.303 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.8 ttp180 -149.31 114.68 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.246 -0.434 . . . . 74.33 109.894 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' HB ' ' A' ' 74' ' ' VAL . 9.9 p -111.57 142.0 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.021 -0.363 . . . . 72.44 110.021 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -106.67 133.77 50.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.724 -0.472 . . . . 74.2 109.724 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 101' ' ' VAL . . . -89.81 178.2 43.75 Favored Glycine 0 C--O 1.235 0.21 0 C-N-CA 121.162 -0.542 . . . . 41.4 111.772 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HD2' HG13 ' A' ' 44' ' ' VAL . 4.5 tmtm? -59.73 -63.0 1.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.528 -0.915 . . . . 54.14 108.528 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.578 HG13 ' HD2' ' A' ' 43' ' ' LYS . 19.5 m -123.01 -176.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.551 -0.75 . . . . 73.31 109.36 172.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.43 102.09 0.1 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.962 0.411 . . . . 75.34 110.386 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.26 178.83 17.71 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.839 -0.619 . . . . 52.52 111.96 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -112.75 163.63 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 73.2 111.1 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' HB2' HG21 ' A' ' 74' ' ' VAL . 4.5 t80 -108.35 -174.18 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.774 -0.824 . . . . 63.04 108.774 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -117.17 92.8 3.95 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.249 0.547 . . . . 70.11 111.644 -177.266 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -51.91 -42.26 62.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.088 -0.96 . . . . 70.43 111.279 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 39.1 ttmt -55.49 -54.04 48.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.638 -0.71 . . . . 63.52 111.139 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . 18.5 m-85 -74.35 -29.4 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 73.2 111.004 -174.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.9 m -64.14 -46.04 85.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.152 0.501 . . . . 73.23 109.821 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.04 -51.07 71.63 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.554 -0.748 . . . . 52.34 110.174 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 27.5 mtpp -59.53 -41.74 90.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 65.33 111.104 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.73 -55.73 27.1 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.128 0.49 . . . . 63.1 110.145 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.75 89.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.639 -0.709 . . . . 74.43 110.963 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.03 -37.77 84.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 61.14 110.735 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -49.71 21.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.978 -0.555 . . . . 73.43 111.587 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.23 -2.4 58.58 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.213 -0.448 . . . . 74.52 111.981 -175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.8 t 67.87 46.88 1.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.78 0.432 . . . . 74.53 112.006 173.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.38 133.91 45.27 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.679 -0.489 . . . . 73.12 109.679 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -111.88 164.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.507 -0.553 . . . . 63.31 109.507 175.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.59 -129.95 3.49 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.885 -0.674 . . . . 63.55 112.013 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 149.48 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.083 0.441 . . . . 74.34 111.365 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 37.1 t -138.85 147.88 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.556 -0.293 . . . . 72.34 110.358 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.1 t -160.67 161.93 32.49 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.666 0.604 . . . . 62.0 110.137 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.781 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.7 t-20 -95.34 154.01 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.793 -0.447 . . . . 73.4 109.793 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -125.99 146.7 49.77 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.509 -0.552 . . . . 74.0 109.509 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.28 -4.45 10.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.519 -0.309 . . . . 73.5 111.621 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.29 -2.42 24.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.494 -0.321 . . . . 73.01 110.746 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.48 39.97 20.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.91 -0.876 . . . . 64.4 110.91 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 p -143.32 151.24 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.401 -0.399 . . . . 74.3 110.603 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.8 t -110.21 124.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.099 -0.704 . . . . 61.55 109.099 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.4 t -129.91 156.36 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 50.11 110.948 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.53 35.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.003 -0.544 . . . . 53.55 111.961 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.7 t -136.36 137.84 47.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 122.458 0.303 . . . . 74.14 110.31 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.2 t -114.32 136.46 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 O-C-N 123.795 0.684 . . . . 63.53 109.729 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.464 ' HG2' HG23 ' A' ' 35' ' ' THR . 4.2 mt-30 -134.71 132.07 38.4 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.295 -0.631 . . . . 75.34 109.295 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.56 -159.45 31.32 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.2 -0.524 . . . . 73.2 111.952 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.6 Cg_endo -70.13 136.65 32.54 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.411 2.074 . . . . 73.32 111.455 174.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.672 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.0 -36.74 13.3 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.713 0.634 . . . . 71.14 112.713 -174.383 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.672 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 5.9 pt-20 -70.84 -39.69 72.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.635 0.235 . . . . 53.44 111.635 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.635 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.7 mp0 -75.02 -34.69 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.269 . . . . 73.41 110.367 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.39 -40.6 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.987 -0.746 . . . . 73.43 108.987 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.569 ' O ' HG12 ' A' ' 89' ' ' VAL . 20.5 t70 -64.98 -35.94 82.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.305 -0.862 . . . . 72.04 110.212 175.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.28 94.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.386 0.613 . . . . 62.15 110.073 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -68.29 -38.25 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 72.11 110.499 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 86' ' ' ASP . 6.4 p -69.37 -35.06 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.607 -0.437 . . . . 71.34 110.339 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.03 -47.18 83.88 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.666 -0.494 . . . . 73.32 109.666 171.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.405 ' HH ' ' HE1' ' A' ' 49' ' ' PHE . 10.9 t80 -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 71.31 110.546 174.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 60.14 110.589 -178.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -65.87 -21.43 66.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.335 -0.393 . . . . 73.34 111.254 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -72.25 -26.57 62.05 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.378 -0.601 . . . . 75.41 109.378 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.48 -82.71 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.424 -0.807 . . . . 31.54 112.578 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -154.42 113.67 2.45 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 75.45 109.972 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.55 -4.54 11.06 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 63.34 112.764 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -121.01 -1.11 9.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.492 -0.322 . . . . 75.23 110.977 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.4 m -144.94 -173.75 4.16 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.833 0.349 . . . . 65.2 111.351 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.0 t -120.09 127.73 75.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.99 -0.55 . . . . 74.34 110.554 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 24.2 m -105.33 132.76 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.61 -0.515 . . . . 73.33 109.61 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -74.76 -50.31 17.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 64.2 111.423 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.93 140.84 12.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.655 0.264 . . . . 72.44 111.536 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.97 141.82 16.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 63.52 109.793 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 m -137.81 144.58 41.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.643 -0.503 . . . . 74.04 109.643 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mm -124.84 157.02 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.577 -0.527 . . . . 72.12 109.577 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 35.4 t-80 -133.98 147.03 50.96 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.994 0.426 . . . . 63.51 110.346 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.85 6.36 4.09 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.51 1.3 . . . . 71.54 114.51 -169.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.772 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 58.4 m -59.95 130.47 46.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.412 0.625 . . . . 75.32 111.678 -169.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 t -72.84 178.89 3.95 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.821 -1.081 . . . . 61.2 110.819 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.653 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 5.8 tmm_? -46.31 145.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.629 -0.714 . . . . 70.34 112.183 -172.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.653 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 35.3 m -139.79 175.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.843 -1.071 . . . . 51.15 109.422 -177.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -89.03 122.11 32.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.663 -0.495 . . . . 74.32 109.663 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.62 131.95 50.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.439 -0.346 . . . . 61.52 110.468 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.44 -28.95 5.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.629 -0.259 . . . . 74.33 111.134 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.45 141.33 5.04 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.005 -0.617 . . . . 52.42 113.087 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.408 ' HA ' ' H ' ' A' ' 66' ' ' VAL . 32.2 m-85 -92.35 111.79 23.49 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.694 -0.854 . . . . 64.33 108.694 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.4 pt-20 -163.74 128.21 2.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 71.34 111.157 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.781 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.7 mp -68.45 88.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.507 0.67 . . . . 71.13 109.847 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.542 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.0 mtt180 -87.68 139.87 30.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.012 -0.995 . . . . 61.44 110.804 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.146 -0.93 . . . . 75.33 109.101 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 110.021 -0.363 . . . . 72.33 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 78.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.225 0.536 . . . . 63.04 110.868 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -112.9 18.66 17.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.446 -0.946 . . . . 73.32 108.446 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -112.99 118.38 34.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.814 -1.084 . . . . 74.33 111.245 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -132.67 172.6 12.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.393 -0.595 . . . . 72.12 109.393 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.62 98.33 0.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.244 0.545 . . . . 74.41 111.076 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -87.44 63.54 7.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.232 0.539 . . . . 74.24 110.686 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -155.27 100.57 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.573 -0.74 . . . . 71.51 109.683 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.6 ttt -70.68 -55.49 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 63.23 110.456 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 113.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.035 -0.602 . . . . 74.43 112.37 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.8 p -78.45 137.42 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.637 0.256 . . . . 73.24 110.662 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.04 120.82 33.74 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.716 -0.846 . . . . 73.43 108.716 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -105.93 145.26 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.361 . . . . 62.32 110.21 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.36 159.5 39.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 75.13 110.205 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -89.33 -177.78 5.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.325 0.583 . . . . 73.33 111.605 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.3 m -147.41 133.6 19.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.477 -0.783 . . . . 72.31 109.146 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -93.29 172.98 7.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 71.34 110.925 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.1 174.82 16.12 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.789 -0.641 . . . . 71.43 112.114 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.85 -72.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.619 2.213 . . . . 74.15 112.388 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.97 26.79 61.32 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.455 -0.402 . . . . 74.25 112.913 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -90.48 -10.13 44.81 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.651 0.262 . . . . 73.15 111.603 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.0 mmt -65.81 107.62 1.87 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.083 0.468 . . . . 73.31 111.607 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -168.38 125.38 1.06 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.248 -0.887 . . . . 74.11 109.435 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 93.83 1.86 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.21 -0.519 . . . . 71.41 112.241 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -151.03 137.3 18.47 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.911 -0.403 . . . . 60.0 109.911 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 ptm -74.02 144.3 82.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.442 -0.345 . . . . 62.34 110.257 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 127.01 12.9 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.149 1.899 . . . . 74.34 111.055 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.61 168.67 4.55 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.944 0.402 . . . . 70.24 110.58 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -68.87 83.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.988 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -109.36 10.61 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.81 0.814 . . . . 75.4 108.868 170.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.29 35.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.676 -1.147 . . . . 62.5 110.452 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.95 -31.3 68.97 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.202 0.525 . . . . 74.21 109.682 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -100.34 96.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.993 -0.743 . . . . 64.33 108.993 171.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 94.7 m -81.18 128.1 33.39 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.076 -0.965 . . . . 71.11 109.624 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 m -121.44 129.32 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 74.11 110.294 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.35 139.72 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 70.33 109.525 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.3 t -89.86 134.88 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.462 . . . . 71.23 109.751 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -111.8 143.77 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.6 0.36 . . . . 74.21 110.782 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.9 ttt180 -151.96 110.86 3.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.834 -0.621 . . . . 74.33 109.724 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.505 ' HB ' HD11 ' A' ' 92' ' ' LEU . 9.4 p -109.79 140.01 30.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.013 -0.736 . . . . 72.44 109.013 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 102' ' ' LYS . 8.8 m -107.81 149.63 28.0 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 116.372 -0.376 . . . . 74.2 110.088 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.55 133.29 11.58 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.154 -0.778 . . . . 41.4 111.154 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.83 -59.86 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 54.14 109.804 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.0 p -123.01 94.74 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.613 -0.722 . . . . 73.31 110.072 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 52.94 86.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.588 -0.733 . . . . 75.34 111.272 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.82 72.4 2.58 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.962 -0.563 . . . . 52.52 112.401 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.2 t -70.58 90.28 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.303 0.573 . . . . 73.2 109.471 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.629 ' HB3' HG12 ' A' ' 119' ' ' ILE . 20.3 t80 -70.58 121.79 18.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.024 -0.989 . . . . 63.04 110.382 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.85 87.88 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.329 -0.851 . . . . 70.11 112.547 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' HB3' HD13 ' A' ' 119' ' ' ILE . 30.6 ptt180 -67.33 -23.15 65.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 115.572 -0.74 . . . . 70.43 110.815 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.17 -53.88 53.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.289 0.566 . . . . 63.52 109.874 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.78 -26.61 59.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.547 -0.751 . . . . 73.2 110.443 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -62.0 -43.02 99.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.148 0.499 . . . . 73.23 109.893 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.24 -48.6 77.53 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.471 -0.786 . . . . 52.34 109.562 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -52.62 -52.01 57.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.778 -0.646 . . . . 65.33 110.696 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.47 -56.65 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 63.1 110.925 -171.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -65.16 -36.55 84.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 74.43 111.127 -176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.16 -45.04 82.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.836 0.35 . . . . 61.14 110.645 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.27 -47.6 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.902 -0.59 . . . . 73.43 111.316 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.79 -11.05 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.904 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m 68.09 44.22 1.49 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.09 0.471 . . . . 74.53 111.598 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.8 mm? -78.78 134.02 37.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.654 -0.499 . . . . 73.12 109.654 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -105.79 154.1 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.055 -0.72 . . . . 63.31 109.055 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.72 -137.8 7.97 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.275 -0.73 . . . . 63.55 111.275 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.19 150.18 6.32 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.252 0.526 . . . . 74.34 111.386 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -138.68 146.75 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.521 -0.548 . . . . 72.34 109.521 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.453 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 13.5 t -156.63 162.14 39.87 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.034 0.834 . . . . 62.0 110.019 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.735 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.3 t-20 -103.81 164.55 11.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.915 -0.402 . . . . 73.4 109.915 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.458 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 32.8 m-80 -132.16 148.53 52.47 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.885 -0.413 . . . . 74.0 109.885 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.93 -16.19 27.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.31 0.576 . . . . 73.5 110.619 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.5 -18.92 65.69 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.242 -0.89 . . . . 73.01 110.933 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.06 25.16 20.55 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.207 -0.521 . . . . 64.4 112.038 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.3 p -132.77 146.12 51.57 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.939 0.399 . . . . 74.3 110.66 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 48' ' ' PHE . 57.2 t -102.31 122.26 54.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 61.55 109.352 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.4 p -125.3 155.43 40.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 50.11 110.93 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.83 -167.26 37.47 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.169 -0.772 . . . . 53.55 111.169 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -140.72 135.99 34.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.7 -0.481 . . . . 74.14 109.7 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.47 140.92 31.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.875 -0.417 . . . . 63.53 109.875 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.568 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -141.24 141.67 33.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 75.34 110.06 176.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.69 -165.46 32.54 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.158 -0.777 . . . . 73.2 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 13.7 Cg_endo -59.31 144.25 99.46 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.355 2.037 . . . . 73.32 111.855 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -48.26 -44.88 33.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 71.14 111.665 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.18 -33.71 72.09 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.541 -0.3 . . . . 53.44 111.688 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.551 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.1 -43.37 53.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 73.41 110.537 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.1 t -57.55 -44.42 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.028 -0.73 . . . . 73.43 109.028 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.94 -40.54 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.266 -0.879 . . . . 72.04 110.466 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.33 90.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.021 -0.536 . . . . 62.15 110.563 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.503 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.3 t80 -65.44 -39.6 92.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.86 -0.609 . . . . 72.11 109.829 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.6 t -58.97 -42.34 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.075 0.464 . . . . 71.34 110.149 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -60.47 -47.71 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.606 -0.724 . . . . 73.32 109.661 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.024 -0.989 . . . . 71.31 110.565 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.13 -41.77 99.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.75 -0.659 . . . . 60.14 110.398 -177.208 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -72.59 -14.2 61.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.985 -0.552 . . . . 73.34 111.582 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB2' ' NZ ' ' A' ' 94' ' ' LYS . 4.9 ttmp? -69.8 -31.57 69.55 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.376 -0.601 . . . . 75.41 109.376 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.81 179.96 52.1 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.617 -0.72 . . . . 31.54 112.913 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.7 m -82.78 129.86 60.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 109.904 -0.406 . . . . 75.45 109.904 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.62 -21.44 65.45 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.664 2.242 . . . . 63.34 112.912 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -121.33 10.57 10.6 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.542 0.21 . . . . 75.23 111.468 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -150.47 126.98 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 65.2 110.326 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.74 124.96 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 74.34 110.434 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.36 134.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 73.33 110.641 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 64.9 tttm -77.06 -35.11 56.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 64.2 109.633 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 4.1 ttmp? 179.66 142.95 0.15 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.521 -0.763 . . . . 72.44 110.211 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.06 134.48 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.461 -0.57 . . . . 63.52 109.461 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.9 m -135.72 131.54 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.262 -0.273 . . . . 74.04 110.262 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.7 mm -122.13 149.16 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.161 -0.681 . . . . 72.12 109.161 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 38.7 t-80 -132.72 151.69 51.92 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.118 0.485 . . . . 63.51 111.298 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.85 6.15 0.95 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.162 1.385 . . . . 71.54 114.624 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.8 m -59.58 130.28 46.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 0.549 . . . . 75.32 111.559 -165.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -74.83 178.88 5.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.954 -1.021 . . . . 61.2 111.938 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -42.47 120.84 1.78 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.233 1.013 . . . . 70.34 112.361 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.69 176.1 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.621 -0.718 . . . . 51.15 110.395 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.43 131.48 37.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.523 -0.547 . . . . 74.32 109.523 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.26 146.32 47.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.514 -0.312 . . . . 61.52 111.373 -176.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 20.7 t70 -131.96 -45.1 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.842 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.29 141.06 3.63 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.059 -0.591 . . . . 52.42 112.296 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -93.46 112.36 24.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.133 -0.321 . . . . 64.33 110.133 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 67' ' ' THR . 9.7 pt-20 -161.98 136.05 6.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 71.34 110.594 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.735 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -69.46 86.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.288 -1.005 . . . . 71.13 108.288 174.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.453 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 10.5 ttt85 -82.67 112.4 19.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.496 -1.229 . . . . 61.44 110.299 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.461 -0.781 . . . . 75.33 109.565 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.5 pmm? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.587 0.232 . . . . 72.33 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.99 124.06 24.73 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.739 0.304 . . . . 63.04 110.36 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -111.77 117.14 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.076 -0.342 . . . . 73.32 110.076 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -70.14 101.88 1.95 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.073 0.463 . . . . 74.33 110.215 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -64.69 -29.2 70.19 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.119 -0.491 . . . . 72.12 110.943 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -87.9 127.5 35.36 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.836 -0.802 . . . . 74.41 108.836 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -69.24 -87.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 74.24 110.485 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 173.19 135.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.622 0.576 . . . . 71.51 109.704 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -96.41 116.25 28.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 63.23 110.461 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.04 73.73 1.7 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.364 -0.446 . . . . 74.43 111.99 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 p -69.86 116.76 10.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.91 0.337 . . . . 73.24 111.91 -176.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.13 154.07 21.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.864 -0.607 . . . . 73.43 109.725 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.69 170.14 21.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.66 0.267 . . . . 62.32 110.965 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 168.28 14.25 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.991 -0.55 . . . . 75.13 110.587 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -82.11 131.98 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 73.33 110.638 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 p -129.8 146.27 51.54 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.322 -0.399 . . . . 72.31 110.829 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -147.88 17.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.993 0.425 . . . . 71.34 110.421 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -73.62 143.5 32.69 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.84 -0.618 . . . . 71.43 111.565 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 57.7 Cg_endo -94.69 -165.19 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.234 2.622 . . . . 74.15 112.291 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.86 -161.08 16.71 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.723 -0.671 . . . . 74.25 111.757 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -89.14 142.16 27.89 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.782 0.325 . . . . 73.15 111.377 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 tpt -79.84 88.63 5.25 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.371 -0.603 . . . . 73.31 109.371 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.34 113.69 25.3 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.987 -0.551 . . . . 74.11 111.077 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.22 160.84 17.44 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.609 -0.596 . . . . 71.41 111.609 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 p -147.97 159.23 44.1 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.809 0.338 . . . . 60.0 110.808 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.505 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 83.7 mtp -143.21 171.65 6.7 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 109.279 -0.638 . . . . 62.34 109.279 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 26' ' ' MET . 72.5 Cg_exo -49.93 113.18 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.026 1.817 . . . . 74.34 111.653 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -150.74 109.96 3.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 70.24 109.617 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 p -60.46 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.766 -0.652 . . . . 73.11 111.609 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -80.86 149.54 29.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.239 -0.652 . . . . 75.4 109.239 175.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.03 128.82 37.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 62.5 110.826 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -70.24 -31.02 68.24 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.712 -0.676 . . . . 74.21 110.866 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.0 t -97.83 100.36 10.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.323 -0.621 . . . . 64.33 109.323 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 m -92.12 152.72 19.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.277 -0.874 . . . . 71.11 110.286 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -142.99 131.5 22.34 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.353 -0.61 . . . . 74.11 109.353 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.52 140.77 33.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.653 -0.499 . . . . 70.33 109.653 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.1 t -87.09 133.58 33.6 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.263 -0.643 . . . . 71.23 109.263 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CE1' ' HB ' ' A' ' 78' ' ' VAL . 1.8 m-85 -111.58 139.32 47.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.098 -0.334 . . . . 74.21 110.098 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 28.8 ttt180 -156.66 111.06 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 74.33 109.883 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 HG22 ' A' ' 104' ' ' VAL . 14.4 p -108.04 149.75 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 72.44 110.259 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.4 p -113.23 120.83 42.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 74.2 109.83 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 155.65 46.11 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.015 -0.834 . . . . 41.4 111.015 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -54.04 -60.72 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.145 0.473 . . . . 54.14 110.161 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.76 95.09 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.72 -0.474 . . . . 73.31 109.72 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 51.95 92.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.755 0.66 . . . . 75.34 111.369 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.12 97.05 0.64 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.575 -0.739 . . . . 52.52 113.677 -172.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.65 131.34 34.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 108.371 -0.974 . . . . 73.2 108.371 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' ' 74' ' ' VAL . 2.3 t80 -109.55 141.73 41.63 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.705 0.288 . . . . 63.04 110.598 -171.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.2 86.47 0.57 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.438 0.637 . . . . 70.11 111.966 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -48.5 -47.2 39.0 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.004 -0.998 . . . . 70.43 111.975 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -64.46 -36.99 85.98 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.451 -0.34 . . . . 63.52 111.307 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.91 -34.4 59.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.603 -0.271 . . . . 73.2 110.736 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.0 m -62.84 -42.11 99.61 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.325 0.583 . . . . 73.23 109.51 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -56.16 -56.52 19.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.077 -0.965 . . . . 52.34 110.047 175.246 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -52.92 -51.92 59.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.737 -0.665 . . . . 65.33 111.168 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.18 -59.47 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 63.1 110.877 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.91 93.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.684 -0.689 . . . . 74.43 111.072 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' HE2' ' A' ' 54' ' ' LYS . 29.0 t70 -66.11 -36.3 82.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 61.14 110.904 -177.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.52 -49.34 49.23 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.345 -0.389 . . . . 73.43 111.318 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.25 -4.4 59.16 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.505 -0.316 . . . . 74.52 111.264 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t 67.94 40.53 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.105 0.562 . . . . 74.53 111.348 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.12 133.68 37.81 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.585 -0.894 . . . . 73.12 108.585 170.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' A' ' 79' ' ' GLN . 32.1 m -110.9 156.21 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.734 -0.469 . . . . 63.31 109.734 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.63 6.24 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.906 -0.877 . . . . 63.55 110.906 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -166.96 149.13 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.236 0.518 . . . . 74.34 111.025 179.4 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -138.92 142.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.46 -0.336 . . . . 72.34 110.463 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -153.01 161.65 42.28 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.726 0.641 . . . . 62.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.461 ' HB2' HG23 ' A' ' 119' ' ' ILE . 14.9 t-20 -101.7 150.6 22.96 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.862 -0.422 . . . . 73.4 109.862 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.54 148.31 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.83 -0.433 . . . . 74.0 109.83 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.65 -22.45 5.11 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.612 0.57 . . . . 73.5 111.774 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.52 -11.72 46.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.85 -0.614 . . . . 73.01 111.537 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.34 0.02 82.94 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.942 -0.647 . . . . 64.4 111.903 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.7 p -103.35 132.6 49.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 110.137 -0.32 . . . . 74.3 110.137 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 48' ' ' PHE . 29.3 t -92.73 128.46 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.72 -0.845 . . . . 61.55 108.72 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.1 p -133.59 149.27 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.003 0.43 . . . . 50.11 111.905 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.02 -166.32 34.29 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.45 -0.796 . . . . 53.55 111.244 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.56 139.09 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.022 0.411 . . . . 74.14 110.1 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 72.4 t -117.57 141.91 34.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.757 -0.46 . . . . 63.53 109.757 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -145.32 149.43 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.156 177.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.93 -156.44 26.68 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 111.447 -0.661 . . . . 73.2 111.447 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.3 Cg_endo -64.68 131.62 30.08 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.453 2.102 . . . . 73.32 111.474 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -52.66 -27.69 18.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.333 -0.394 . . . . 71.14 111.478 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.0 -52.22 57.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.293 -0.412 . . . . 53.44 110.917 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.42 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -74.41 -35.47 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.702 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 89' ' ' VAL . 96.9 t -59.01 -44.47 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.472 -0.566 . . . . 73.43 109.472 173.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.84 -42.53 99.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.343 -0.844 . . . . 72.04 109.864 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.0 77.86 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.396 -0.82 . . . . 62.15 110.829 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.63 -34.74 74.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.742 -0.663 . . . . 72.11 109.832 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 85' ' ' VAL . 83.2 t -59.08 -50.74 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.173 -0.467 . . . . 71.34 110.468 174.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.78 -46.32 84.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.287 0.565 . . . . 73.32 109.702 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.27 -41.32 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.927 -1.033 . . . . 71.31 110.679 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -35.35 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 60.14 110.292 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -79.85 -11.36 59.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.671 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -76.73 -47.61 21.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.598 -0.519 . . . . 75.41 109.598 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.12 175.05 45.21 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.466 -0.788 . . . . 31.54 113.189 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 m -85.76 139.92 35.39 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 110.187 -0.301 . . . . 75.45 110.187 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.17 -44.26 50.98 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.223 2.615 . . . . 63.34 113.055 -174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -72.37 -26.38 61.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.815 0.34 . . . . 75.23 111.286 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.6 t -109.3 177.28 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 65.2 111.706 -169.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.56 121.44 50.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.312 -0.858 . . . . 74.34 108.984 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.0 m -71.89 112.41 7.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.496 0.665 . . . . 73.33 110.267 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.48 -45.24 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 64.2 110.565 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -160.18 121.34 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 72.44 110.551 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 40' ' ' VAL . 63.1 t -91.31 139.73 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.885 -0.783 . . . . 63.52 108.885 173.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.6 m -137.08 122.52 19.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 74.04 110.189 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 mm -116.83 145.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.86 -0.793 . . . . 72.12 108.86 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 13.9 t-80 -128.89 152.7 48.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.361 0.6 . . . . 63.51 111.422 -175.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.58 0.92 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.878 1.271 . . . . 71.54 114.299 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.1 m -59.18 135.41 57.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.476 0.655 . . . . 75.32 111.998 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.1 p -72.12 178.33 3.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.585 -1.189 . . . . 61.2 112.488 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -54.02 134.48 43.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.438 -0.801 . . . . 70.34 112.01 -174.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.04 175.89 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.489 -0.778 . . . . 51.15 109.715 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -84.61 139.94 31.72 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.711 -0.477 . . . . 74.32 109.711 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.28 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 61.52 110.643 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 26.7 t70 -144.46 -47.84 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.572 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.86 143.83 4.06 Favored Glycine 0 C--O 1.239 0.409 0 C-N-CA 120.824 -0.703 . . . . 52.42 112.955 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -91.57 111.49 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.596 -0.89 . . . . 64.33 108.596 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.31 129.04 3.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.746 0.308 . . . . 71.34 110.505 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 41.6 mm -66.96 86.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.446 0.641 . . . . 71.13 110.799 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.565 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 50.6 mtt180 -79.24 144.59 34.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.831 -1.077 . . . . 61.44 110.126 175.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.957 -0.565 . . . . 75.33 109.653 179.236 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.525 0.202 . . . . 72.33 110.611 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.21 149.84 17.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.833 -0.432 . . . . 63.04 109.833 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -135.24 138.66 43.77 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.322 -0.399 . . . . 73.32 109.964 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -77.84 68.75 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.443 0.64 . . . . 74.33 109.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -61.34 110.11 1.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.086 -0.961 . . . . 72.12 110.881 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -97.3 100.59 12.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.272 -0.876 . . . . 74.41 110.085 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -73.42 125.76 28.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.328 -0.396 . . . . 74.24 110.737 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -159.0 139.83 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 71.51 109.81 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 ptm -119.17 144.1 46.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 63.23 110.724 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.63 107.4 2.8 Favored Glycine 0 C--N 1.329 0.143 0 N-CA-C 111.428 -0.669 . . . . 74.43 111.428 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -68.77 157.84 35.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.097 0.475 . . . . 73.24 111.393 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.6 pt? -133.07 156.69 46.94 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.135 -0.691 . . . . 73.43 109.135 177.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.21 -47.53 5.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 62.32 111.274 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.71 -179.34 4.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.479 -0.328 . . . . 75.13 110.805 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.95 -178.77 4.86 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.663 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.697 HG22 ' H ' ' A' ' 18' ' ' GLY . 29.2 m -148.13 140.58 24.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.868 -0.419 . . . . 72.31 109.868 178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -97.56 12.71 32.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.553 0.692 . . . . 71.34 110.373 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.697 ' H ' HG22 ' A' ' 16' ' ' THR . . . 100.74 -177.97 28.32 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 115.456 -0.793 . . . . 71.43 111.964 -176.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.75 -9.14 20.96 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.796 2.33 . . . . 74.15 112.531 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.25 155.98 31.14 Favored Glycine 0 C--N 1.331 0.284 0 CA-C-N 116.141 -0.481 . . . . 74.25 112.524 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -77.72 92.13 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.119 -0.326 . . . . 73.15 110.119 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 ttp -68.47 104.54 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 73.31 110.601 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.76 . . . . 74.11 109.411 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.19 177.62 48.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 71.41 112.506 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -157.4 149.04 22.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.009 -0.738 . . . . 60.0 109.009 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.4 ttp -150.38 137.14 11.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 62.34 111.014 -176.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.75 157.48 60.27 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.945 2.43 . . . . 74.34 111.351 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t -84.66 100.1 11.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.835 0.35 . . . . 70.24 110.205 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 t -81.58 133.53 35.39 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 73.11 109.372 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.5 p -115.22 127.02 55.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.67 -0.241 . . . . 75.4 111.138 -175.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -88.72 138.87 31.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.611 -0.515 . . . . 62.5 109.611 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.22 -31.07 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 74.21 109.884 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.8 102.25 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 64.33 109.571 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.7 m -77.12 128.8 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.72 -0.673 . . . . 71.11 110.182 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 79' ' ' GLN . 93.1 m -124.12 132.11 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.343 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -144.24 134.35 24.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 70.33 109.409 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 50.2 m -87.22 138.51 31.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.953 -0.388 . . . . 71.23 109.953 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.87 144.8 40.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.989 0.423 . . . . 74.21 111.485 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -152.63 110.69 3.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.38 -0.827 . . . . 74.33 109.253 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.85 148.84 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.183 -0.462 . . . . 72.44 109.925 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -110.04 148.9 30.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.324 -0.398 . . . . 74.2 110.462 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.88 130.3 10.18 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.239 -0.505 . . . . 41.4 111.864 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -44.65 79.71 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.198 -0.667 . . . . 54.14 109.198 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.55 145.34 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 73.31 109.498 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.43 80.69 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.994 0.426 . . . . 75.34 110.519 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.55 148.33 19.47 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.065 -0.814 . . . . 52.52 111.065 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.69 148.43 10.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-O 121.203 0.525 . . . . 73.2 111.511 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.504 ' HB3' HG12 ' A' ' 119' ' ' ILE . 28.3 t80 -79.16 123.46 27.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.712 -0.847 . . . . 63.04 108.712 175.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -58.02 82.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.932 0.715 . . . . 70.11 112.932 -174.64 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HB2' HD13 ' A' ' 119' ' ' ILE . 55.0 ttp180 -58.14 -30.68 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.179 -0.919 . . . . 70.43 111.356 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -52.0 67.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.146 0.498 . . . . 63.52 110.403 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -78.5 -24.26 45.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.2 110.894 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -63.8 -45.9 87.6 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.454 -0.572 . . . . 73.23 109.454 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.63 -50.57 72.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.436 -0.802 . . . . 52.34 110.031 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -52.79 -52.21 57.69 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.233 -0.44 . . . . 65.33 111.08 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.31 -59.99 4.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 63.1 110.736 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.69 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 74.43 111.414 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -73.77 -40.95 63.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.885 0.374 . . . . 61.14 110.64 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.29 71.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.12 -0.491 . . . . 73.43 111.133 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 61.0 mt -90.85 -10.04 44.15 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.257 -0.429 . . . . 74.52 111.752 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m 68.59 45.82 1.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.257 -0.429 . . . . 74.53 111.762 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.19 133.67 34.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.659 -0.867 . . . . 73.12 108.659 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.3 m -112.6 161.02 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.883 -0.414 . . . . 63.31 109.883 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.93 -132.06 4.38 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.251 -0.74 . . . . 63.55 111.251 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.15 148.21 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.199 0.499 . . . . 74.34 111.057 178.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -138.94 144.79 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.246 -0.434 . . . . 72.34 110.383 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -156.2 161.9 40.24 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.813 0.845 . . . . 62.0 109.48 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.46 ' HB2' HG23 ' A' ' 119' ' ' ILE . 9.6 t30 -120.24 159.48 24.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.788 0.327 . . . . 73.4 110.621 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -127.54 162.59 26.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 74.0 110.388 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.54 -26.14 12.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.771 -0.65 . . . . 73.5 112.285 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.37 -3.31 16.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.548 -0.297 . . . . 73.01 111.178 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.47 67.71 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.004 -0.838 . . . . 64.4 111.004 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.6 p -103.52 130.32 50.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.357 -0.421 . . . . 74.3 110.813 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.25 115.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -123.12 153.68 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.386 -0.37 . . . . 50.11 110.967 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.48 -159.67 31.41 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.777 -0.529 . . . . 53.55 111.777 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.5 t -140.58 140.62 33.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.936 -0.394 . . . . 74.14 109.936 178.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.92 142.75 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.36 -0.607 . . . . 63.53 109.36 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.7 mt-30 -143.51 135.5 26.69 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.458 -0.571 . . . . 75.34 109.458 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.11 -163.7 32.96 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.845 -0.693 . . . . 73.2 112.253 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.2 Cg_endo -66.34 136.17 42.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.37 2.046 . . . . 73.32 110.982 177.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -20.87 35.26 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.714 0.265 . . . . 71.14 111.714 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.88 -51.74 56.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.438 0.637 . . . . 53.44 110.327 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.553 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.6 mp0 -75.24 -30.71 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.248 -0.887 . . . . 73.41 110.853 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.36 -40.11 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.401 -0.592 . . . . 73.43 109.401 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.535 ' O ' HG12 ' A' ' 89' ' ' VAL . 14.0 t70 -59.98 -47.35 86.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.874 173.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.54 -43.26 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.39 -0.823 . . . . 62.15 110.751 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -67.69 -44.95 76.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.461 -0.791 . . . . 72.11 111.063 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.1 p -64.79 -37.63 80.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.749 0.309 . . . . 71.34 110.333 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.37 -42.59 92.55 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.798 0.332 . . . . 73.32 110.181 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -56.6 -40.75 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 71.31 109.992 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -35.25 76.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.451 -0.795 . . . . 60.14 110.3 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -62.52 -22.46 66.31 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.997 -0.547 . . . . 73.34 111.119 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -73.86 -57.41 4.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.912 0.387 . . . . 75.41 110.121 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.48 33.01 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.864 -0.607 . . . . 31.54 112.68 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.759 ' HB3' ' HB3' ' A' ' 99' ' ' SER . 33.4 t -90.1 141.41 27.85 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 109.57 -0.53 . . . . 75.45 109.57 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.18 -44.83 40.45 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.016 2.477 . . . . 63.34 113.045 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -102.85 5.18 38.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.401 -0.363 . . . . 75.23 111.267 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.759 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.7 t -134.6 81.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.121 -0.696 . . . . 65.2 109.121 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.3 129.89 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.183 -0.917 . . . . 74.34 109.925 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.17 122.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.516 0.674 . . . . 73.33 111.45 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -73.33 -45.56 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.251 -0.886 . . . . 64.2 108.774 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -168.25 137.79 2.47 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.921 -1.036 . . . . 72.44 109.646 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.89 139.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.032 -0.358 . . . . 63.52 110.032 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.3 m -135.72 132.78 37.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.084 -0.339 . . . . 74.04 110.084 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -120.45 151.99 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.677 -0.49 . . . . 72.12 109.677 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 49.1 t-80 -130.48 147.62 52.2 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.015 0.436 . . . . 63.51 110.808 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.95 5.51 6.45 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.657 1.355 . . . . 71.54 114.657 -168.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.707 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 61.5 m -59.65 130.21 45.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.429 0.559 . . . . 75.32 112.003 -170.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.2 t -74.29 178.81 4.9 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.286 -0.87 . . . . 61.2 111.487 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -42.79 131.32 4.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.405 -0.816 . . . . 70.34 112.94 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.37 176.31 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.305 -0.861 . . . . 51.15 109.85 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.33 120.89 27.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.338 -0.245 . . . . 74.32 110.338 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.71 155.07 39.05 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.871 0.367 . . . . 61.52 111.387 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 31.5 t70 -133.47 -48.6 0.83 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.876 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.16 144.3 3.91 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.995 -0.622 . . . . 52.42 113.048 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -91.44 112.4 24.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.572 -0.529 . . . . 64.33 109.572 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 9.9 pt-20 -162.86 125.33 2.69 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.972 -0.291 . . . . 71.34 110.95 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 50' ' ' ARG . 1.7 mp -63.76 87.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 71.13 109.838 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 87.0 mtt180 -84.86 144.67 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.524 -1.216 . . . . 61.44 111.086 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.494 -0.775 . . . . 75.33 109.014 174.647 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.749 0.309 . . . . 72.33 110.185 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.21 159.19 44.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 63.04 110.052 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -141.01 175.71 9.4 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.104 -0.332 . . . . 73.32 110.104 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -71.55 91.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.101 0.476 . . . . 74.33 111.015 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -123.05 88.33 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 72.12 108.989 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -111.21 106.47 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.02 -0.536 . . . . 74.41 109.775 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -76.66 135.1 39.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.503 -0.317 . . . . 74.24 110.289 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -175.56 125.58 0.23 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.631 -0.507 . . . . 71.51 109.631 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.612 0.244 . . . . 63.23 111.097 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.86 99.06 2.08 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 116.188 -0.46 . . . . 74.43 113.253 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -86.61 136.1 33.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.228 -0.286 . . . . 73.24 110.228 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.5 pt? -142.17 173.95 11.05 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.59 0.233 . . . . 73.43 110.732 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.63 167.52 26.83 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.235 -0.439 . . . . 62.32 110.649 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.92 125.56 2.7 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.098 -0.501 . . . . 75.13 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -64.03 153.43 37.37 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.121 0.486 . . . . 73.33 111.856 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 p -95.91 175.93 6.31 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.741 -0.663 . . . . 72.31 110.365 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -112.84 -169.77 1.54 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.223 0.209 . . . . 71.34 111.033 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.78 154.59 21.01 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.98 -0.448 . . . . 71.43 111.98 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.99 -79.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.944 2.429 . . . . 74.15 113.173 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 -144.95 13.26 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.976 -0.63 . . . . 74.25 111.95 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.9 m -157.42 133.3 9.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.485 0.314 . . . . 73.15 110.43 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.411 ' SD ' ' N ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -119.11 162.0 19.35 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.097 -0.334 . . . . 73.31 110.097 175.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.24 155.12 27.81 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.042 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.79 -135.07 3.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.223 -0.513 . . . . 71.41 112.142 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.7 t -142.46 -168.4 2.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.19 -0.3 . . . . 60.0 110.19 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -135.26 143.33 45.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 62.34 110.481 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.4 167.65 25.3 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.646 2.231 . . . . 74.34 111.864 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -133.76 100.49 4.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.431 -0.35 . . . . 70.24 110.89 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 p -77.16 109.86 11.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.163 0.506 . . . . 73.11 110.162 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -86.22 75.64 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 75.4 110.595 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -86.34 116.54 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 62.5 110.584 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.044 0.45 . . . . 74.21 110.246 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.38 129.65 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.799 -0.637 . . . . 64.33 109.74 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -86.1 110.81 19.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.142 -0.481 . . . . 71.11 109.987 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 79' ' ' GLN . 85.6 m -119.23 124.43 46.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.76 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 35' ' ' THR . 3.3 mm? -134.29 135.98 43.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.853 -0.795 . . . . 70.33 108.853 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.82 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 36.6 m -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.637 -0.505 . . . . 71.23 109.637 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.64 147.66 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.323 -0.399 . . . . 74.21 111.067 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -157.56 110.78 2.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.419 -0.809 . . . . 74.33 109.346 168.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.39 146.59 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.305 -0.407 . . . . 72.44 109.935 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.1 t -114.15 152.51 31.04 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.301 0.572 . . . . 74.2 110.968 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.85 154.06 20.49 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.08 -0.964 . . . . 41.4 112.419 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 -43.57 9.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.592 -0.892 . . . . 54.14 108.592 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.74 144.6 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.265 -0.88 . . . . 73.31 109.511 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.16 112.65 2.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.04 0.447 . . . . 75.34 110.466 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.48 162.85 35.26 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.764 -0.653 . . . . 52.52 111.565 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.18 166.4 2.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.059 0.456 . . . . 73.2 110.993 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -103.04 126.3 50.16 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.092 -0.707 . . . . 63.04 109.092 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -60.47 80.92 0.01 OUTLIER 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.753 0.649 . . . . 70.11 112.753 -176.281 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HB2' HG12 ' A' ' 119' ' ' ILE . 31.5 ttp180 -56.14 -42.63 77.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.422 -0.808 . . . . 70.43 111.032 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.36 -52.09 65.88 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.91 -0.586 . . . . 63.52 111.148 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.38 -32.89 64.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.878 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -64.34 -45.7 86.71 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.035 0.445 . . . . 73.23 110.791 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.41 -40.31 77.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 52.34 109.987 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.38 -44.88 84.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.412 0.625 . . . . 65.33 110.175 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.08 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.084 -0.962 . . . . 63.1 110.001 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.08 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.318 -0.855 . . . . 74.43 111.416 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.82 -45.49 92.19 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.511 . . . . 61.14 110.71 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.12 43.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 73.43 111.494 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.8 -4.0 58.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.343 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 67.88 44.61 1.52 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.981 0.513 . . . . 74.53 112.225 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.57 133.88 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.528 -0.545 . . . . 73.12 109.528 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -111.94 160.73 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.294 -0.632 . . . . 63.31 109.294 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -135.27 6.22 Favored Glycine 0 CA--C 1.507 -0.413 0 N-CA-C 110.482 -1.047 . . . . 63.55 110.482 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.23 158.44 11.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.222 0.511 . . . . 74.34 111.349 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' ' HA ' ' A' ' 117' ' ' PHE . 5.5 t -138.69 148.98 23.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.784 -0.45 . . . . 72.34 109.784 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -154.9 161.68 41.35 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 124.437 1.085 . . . . 62.0 109.781 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.542 ' HB2' HG23 ' A' ' 119' ' ' ILE . 15.2 t-20 -95.51 155.6 16.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.789 0.328 . . . . 73.4 110.786 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -121.14 146.37 46.83 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.741 -0.837 . . . . 74.0 108.741 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.88 -13.43 62.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.291 0.567 . . . . 73.5 109.878 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.69 -10.4 36.16 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.53 -0.759 . . . . 73.01 111.09 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.6 26.33 39.19 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 110.817 -0.913 . . . . 64.4 110.817 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -127.21 146.96 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.24 -0.48 . . . . 74.3 110.475 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.23 121.28 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.35 -0.611 . . . . 61.55 109.35 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -117.95 161.33 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 50.11 110.839 -175.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.23 -165.41 38.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.221 -0.514 . . . . 53.55 111.94 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 44.2 t -140.62 140.2 34.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.826 -0.435 . . . . 74.14 109.826 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.77 140.39 41.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 109.287 -0.634 . . . . 63.53 109.287 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.8 mt-30 -141.93 132.16 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.489 -0.56 . . . . 75.34 109.489 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.32 33.9 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.928 -0.469 . . . . 73.2 111.928 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.85 136.24 34.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.697 2.265 . . . . 73.32 110.96 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -55.02 -22.66 16.26 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.368 0.507 . . . . 71.14 112.368 -172.183 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.18 -51.25 32.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.145 0.498 . . . . 53.44 110.178 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.63 -33.01 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 73.41 109.998 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.8 t -60.35 -43.44 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.263 -0.643 . . . . 73.43 109.263 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.51 -37.78 87.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.042 -0.526 . . . . 72.04 110.183 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.72 87.86 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.245 0.545 . . . . 62.15 110.135 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -70.74 -36.85 73.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.324 -0.853 . . . . 72.11 110.278 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.9 t -62.18 -47.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.79 -0.448 . . . . 71.34 109.79 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 55.5 tptt -57.45 -44.11 84.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 73.32 109.922 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.748 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 57.4 t80 -61.77 -38.89 89.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.732 -0.667 . . . . 71.31 110.431 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -42.51 85.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 60.14 110.117 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -65.88 -25.22 67.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.954 -0.566 . . . . 73.34 110.878 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.748 ' HD3' ' HA ' ' A' ' 91' ' ' TYR . 53.8 mtpt -63.46 -46.51 85.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.704 -0.48 . . . . 75.41 109.704 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.03 -179.35 38.92 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.662 -0.699 . . . . 31.54 112.862 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 99' ' ' SER . 41.6 t -72.51 145.94 88.19 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.273 -0.269 . . . . 75.45 110.273 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 18.4 Cg_exo -67.09 -24.18 45.22 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.69 2.26 . . . . 63.34 112.312 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.56 -26.58 7.01 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.203 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 96' ' ' SER . 4.4 m -101.96 99.72 9.93 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.815 -0.439 . . . . 65.2 109.815 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 60.2 t -73.24 134.2 30.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.368 -0.378 . . . . 74.34 109.994 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.55 149.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 73.33 110.776 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -97.63 -36.84 10.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 64.2 110.267 177.603 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -169.26 138.01 1.99 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.672 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 p -106.67 133.87 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 63.52 109.683 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.4 m -128.92 120.4 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.63 -0.507 . . . . 74.04 109.63 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 36' ' ' LEU . 21.6 mm -111.11 154.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.211 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.5 m-70 -126.53 145.81 50.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.919 0.39 . . . . 63.51 110.559 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 5.71 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.342 1.057 . . . . 71.54 113.324 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.82 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 51.4 m -59.95 138.59 57.8 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.179 0.514 . . . . 75.32 112.06 -168.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 112' ' ' VAL . 14.9 p -81.28 178.75 8.2 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.969 -1.014 . . . . 61.2 112.692 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -44.21 132.4 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.161 0.985 . . . . 70.34 112.933 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 110' ' ' SER . 35.6 m -132.18 176.06 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.616 -0.72 . . . . 51.15 110.546 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -76.74 123.5 26.27 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.013 -0.366 . . . . 74.32 110.013 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.59 138.91 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 61.52 111.201 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 -52.23 2.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 74.33 110.555 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.03 146.4 4.31 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.023 -0.535 . . . . 52.42 112.412 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.425 ' HA ' ' N ' ' A' ' 66' ' ' VAL . 13.7 m-85 -90.31 112.07 23.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.181 -0.674 . . . . 64.33 109.181 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 10.0 pt-20 -154.52 169.78 22.99 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.587 -0.445 . . . . 71.34 110.844 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.611 HG12 ' HB2' ' A' ' 50' ' ' ARG . 33.6 mm -100.95 86.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.496 0.665 . . . . 71.13 109.906 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.494 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 51.7 mtt85 -80.4 140.72 35.89 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.872 -1.058 . . . . 61.44 109.955 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.785 -0.82 . . . . 75.33 108.785 178.693 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.931 -0.396 . . . . 72.33 109.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.84 135.69 37.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 63.04 110.53 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -97.61 136.78 37.51 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.902 -0.407 . . . . 73.32 109.902 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -87.74 145.44 26.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 74.33 110.346 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -109.75 178.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 72.12 110.637 -173.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -135.87 123.55 22.37 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.041 -0.355 . . . . 74.41 110.041 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -91.54 109.24 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 74.24 110.313 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -72.22 147.48 46.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.711 0.291 . . . . 71.51 110.599 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -153.09 177.06 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 63.23 110.369 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.64 135.35 1.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.747 -0.541 . . . . 74.43 111.747 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 p -72.57 144.47 47.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.823 0.344 . . . . 73.24 111.012 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 13' ' ' GLU . 56.9 tp -86.33 165.32 16.5 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.739 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 11.8 tp10 -129.4 140.78 51.23 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.861 -0.792 . . . . 62.32 108.861 177.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.85 167.71 14.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.418 . . . . 75.13 111.793 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -121.04 167.23 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 73.33 110.228 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.0 p -100.62 166.3 10.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.534 -0.303 . . . . 72.31 111.095 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -83.66 149.25 26.64 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.103 -0.499 . . . . 71.34 110.318 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.69 -178.64 40.9 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 121.264 -0.493 . . . . 71.43 112.631 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.98 -15.17 14.95 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.962 2.441 . . . . 74.15 112.708 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.16 -130.55 9.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.214 -0.517 . . . . 74.25 112.078 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -154.2 146.15 23.55 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.805 0.336 . . . . 73.15 111.044 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -132.84 156.94 46.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.925 -0.58 . . . . 73.31 109.441 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -71.09 179.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 74.11 110.802 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.7 -147.22 4.83 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.216 -0.516 . . . . 71.41 112.387 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.4 p -135.23 168.17 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.745 0.307 . . . . 60.0 110.948 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 88.3 mtp -136.38 129.19 17.62 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.459 -0.571 . . . . 62.34 109.459 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.88 129.85 15.96 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.319 2.012 . . . . 74.34 112.145 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -83.03 82.97 8.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.06 0.457 . . . . 70.24 110.537 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 t -161.86 150.29 15.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.701 -0.681 . . . . 73.11 109.706 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -174.35 162.11 3.53 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.522 -0.548 . . . . 75.4 109.522 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.71 135.68 56.79 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.276 -0.638 . . . . 62.5 109.276 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -69.55 -31.67 70.01 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.092 0.472 . . . . 74.21 110.413 -173.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t -117.19 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.98 -1.119 . . . . 64.33 107.98 167.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.6 m -76.86 124.46 27.76 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.901 -1.045 . . . . 71.11 110.122 -171.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 79' ' ' GLN . 91.2 m -121.88 126.33 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.75 -0.659 . . . . 74.11 109.863 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -140.7 133.15 28.47 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.26 -0.644 . . . . 70.33 109.26 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 29.9 t -85.29 137.89 32.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.829 -0.434 . . . . 71.23 109.829 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 5.1 m-85 -111.32 145.64 38.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.845 0.355 . . . . 74.21 110.634 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -154.97 110.81 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 74.33 109.676 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 103' ' ' LYS . 10.6 p -119.05 145.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.73 -0.47 . . . . 72.44 109.73 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 p -107.73 118.9 37.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.368 . . . . 74.2 110.395 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.58 129.59 9.39 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.962 -0.637 . . . . 41.4 111.626 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -82.58 -5.56 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.568 0.699 . . . . 54.14 109.68 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -99.17 -176.14 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 114.943 -1.026 . . . . 73.31 110.471 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.67 37.92 0.18 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.358 0.503 . . . . 75.34 112.358 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.67 26.43 56.5 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.214 -0.517 . . . . 52.52 114.003 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.66 127.6 43.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 117.278 0.539 . . . . 73.2 110.384 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.483 ' HD2' HD11 ' A' ' 119' ' ' ILE . 7.6 t80 -134.65 168.55 18.79 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.233 -1.025 . . . . 63.04 108.233 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . 5.0 p90 -71.56 75.4 0.8 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.783 0.801 . . . . 70.11 112.398 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.624 ' NH1' ' HB2' ' A' ' 118' ' ' GLU . 4.3 tpt180 -59.09 151.84 21.53 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.041 -0.982 . . . . 70.43 108.843 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.2 mttp 71.32 -62.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.855 0.462 . . . . 63.52 110.149 -170.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . 57.5 m-85 -55.13 -33.93 63.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 73.2 112.007 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 m -55.23 -53.57 54.35 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.445 0.64 . . . . 73.23 110.564 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -71.19 -40.83 70.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.38 -0.827 . . . . 52.34 109.042 -176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 11.8 tmtt? -53.47 -52.0 60.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.725 . . . . 65.33 110.532 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 54.7 tp10 -65.88 -52.25 51.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.011 -0.54 . . . . 63.1 110.452 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.89 -48.14 78.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 74.43 110.619 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.08 -36.31 83.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 61.14 111.032 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.67 -47.66 58.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.358 -0.383 . . . . 73.43 111.274 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.83 -3.36 56.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.312 -0.404 . . . . 74.52 110.704 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.2 t 68.86 37.98 2.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.836 -0.62 . . . . 74.53 111.539 172.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 84' ' ' GLN . 2.1 mm? -87.2 133.52 33.64 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.945 -0.761 . . . . 73.12 108.945 169.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.5 m -109.47 163.55 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.473 -0.566 . . . . 63.31 109.473 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 -135.18 6.77 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 111.171 -0.772 . . . . 63.55 111.171 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.08 148.95 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.027 0.413 . . . . 74.34 111.294 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 t -138.74 142.01 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.735 -0.469 . . . . 72.34 109.735 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -148.64 161.73 41.13 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 124.08 0.862 . . . . 62.0 109.659 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 119' ' ' ILE . 4.3 t-20 -100.63 155.76 17.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.577 -0.527 . . . . 73.4 109.577 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.401 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.5 m-80 -119.73 150.54 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.769 -0.826 . . . . 74.0 108.769 176.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.72 -4.08 21.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.324 0.583 . . . . 73.5 110.285 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.97 -7.86 53.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.706 -0.679 . . . . 73.01 110.207 172.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.19 4.63 71.23 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.909 -0.587 . . . . 64.4 111.735 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 p -106.68 135.62 47.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 74.3 110.942 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.3 t -96.42 129.42 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.809 -0.811 . . . . 61.55 108.809 173.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.8 m -137.94 151.41 47.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.049 0.452 . . . . 50.11 111.231 -175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.87 -164.69 32.07 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.639 -0.71 . . . . 53.55 111.373 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 56.5 t -136.94 140.23 43.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.948 -0.39 . . . . 74.14 109.948 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.06 143.45 28.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.643 -0.503 . . . . 63.53 109.643 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.528 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.8 mt-30 -142.91 134.99 27.17 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.484 -0.562 . . . . 75.34 109.484 -178.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.15 -170.85 38.74 Favored Glycine 0 C--O 1.228 -0.22 0 C-N-CA 121.096 -0.573 . . . . 73.2 111.986 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 18.8 Cg_endo -60.66 147.03 96.12 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.309 2.006 . . . . 73.32 111.638 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.5 tmtm? -47.2 -47.81 24.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.11 -0.496 . . . . 71.14 111.482 -176.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.67 -35.54 77.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 53.44 111.831 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.533 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.16 -38.61 60.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.698 0.285 . . . . 73.41 110.659 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.85 -38.02 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.289 -0.634 . . . . 73.43 109.289 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.93 -36.88 84.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.095 -0.957 . . . . 72.04 109.236 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' GLN . . . -60.47 -42.76 96.89 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.596 -0.729 . . . . 62.15 110.43 174.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -65.98 -45.6 81.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 72.11 110.931 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.46 ' HB ' ' OH ' ' A' ' 38' ' ' TYR . 8.6 p -66.73 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 120.983 0.42 . . . . 71.34 110.318 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -63.06 -42.24 99.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 73.32 109.996 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.8 -40.98 88.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.498 -0.773 . . . . 71.31 110.388 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.924 -0.58 . . . . 60.14 110.062 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -64.77 -11.06 32.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.059 -0.519 . . . . 73.34 111.762 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 94' ' ' LYS . 3.0 mmmp? -83.23 -19.47 36.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.852 0.358 . . . . 75.41 110.496 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.47 -168.29 51.21 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.111 -0.495 . . . . 31.54 112.665 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 17.8 m -103.23 145.26 30.26 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 109.962 -0.384 . . . . 75.45 109.962 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.72 -47.02 10.04 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.473 2.782 . . . . 63.34 114.262 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -108.52 10.36 27.23 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.895 0.332 . . . . 75.23 111.895 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.722 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.8 t -115.8 148.62 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.032 0.444 . . . . 65.2 110.96 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.1 109.78 29.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.775 -0.648 . . . . 74.34 109.701 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.4 m -81.25 111.48 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 73.33 110.409 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.69 -54.7 7.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 64.2 109.653 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . 8.9 mtpm? -134.4 124.97 26.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.667 -0.697 . . . . 72.44 110.47 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.1 p -105.78 109.04 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.513 -0.921 . . . . 63.52 108.513 170.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -122.09 130.94 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.138 -169.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.3 mm -114.09 152.35 15.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.243 -0.651 . . . . 72.12 109.243 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 51.5 t-80 -131.95 147.31 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.094 0.473 . . . . 63.51 110.814 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.17 6.54 0.94 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.803 1.409 . . . . 71.54 114.803 -171.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.9 m -59.5 130.11 45.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.194 0.521 . . . . 75.32 111.276 -169.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 p -78.26 178.41 7.66 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.16 -0.927 . . . . 61.2 111.956 -173.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -48.13 139.15 8.61 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.022 0.749 . . . . 70.34 113.022 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.42 176.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.023 -0.989 . . . . 51.15 109.71 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -85.31 139.2 31.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.835 -0.432 . . . . 74.32 109.835 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.3 159.55 28.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 61.52 111.592 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -138.4 -45.76 0.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.105 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.4 139.58 3.12 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.843 -0.694 . . . . 52.42 112.913 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.39 112.17 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.924 -0.399 . . . . 64.33 109.924 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.624 ' HB2' ' NH1' ' A' ' 50' ' ' ARG . 10.6 pt-20 -162.7 136.22 6.05 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.558 -0.457 . . . . 71.34 111.211 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.483 HD11 ' HD2' ' A' ' 48' ' ' PHE . 30.8 mm -70.44 86.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.621 0.724 . . . . 71.13 109.657 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 59.9 mtt180 -73.78 123.66 24.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.9 -1.046 . . . . 61.44 111.469 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 C--O 1.252 1.197 0 CA-C-N 114.424 -1.262 . . . . 75.33 108.862 -177.205 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.408 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 26.3 mmt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 73.49 121.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.899 0.75 . . . . 63.04 111.249 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -92.04 32.76 1.11 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.757 -0.656 . . . . 73.32 109.649 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -54.94 144.64 22.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.394 -0.821 . . . . 74.33 110.72 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -147.1 143.7 28.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.459 -0.337 . . . . 72.12 110.974 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -140.93 159.54 42.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.942 -0.572 . . . . 74.41 109.907 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -172.06 162.47 5.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.781 0.324 . . . . 74.24 110.21 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -167.96 157.27 9.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 71.51 109.705 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -140.84 96.82 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.635 -0.505 . . . . 63.23 109.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.14 99.91 0.36 Allowed Glycine 0 C--N 1.329 0.174 0 CA-C-N 116.082 -0.508 . . . . 74.43 111.872 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.18 159.02 32.54 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.547 0.339 . . . . 73.24 110.851 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 tp -176.31 145.93 0.62 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.593 -0.731 . . . . 73.43 110.693 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -152.51 117.5 5.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.472 -0.936 . . . . 62.32 108.472 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.34 -172.87 3.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.659 0.266 . . . . 75.13 111.459 -169.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -108.15 162.15 14.32 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.326 -0.397 . . . . 73.33 111.246 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.5 m -141.19 92.81 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.345 -0.613 . . . . 72.31 109.345 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -104.77 143.07 33.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.943 -0.571 . . . . 71.34 110.361 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.25 128.34 2.53 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.26 -0.495 . . . . 71.43 111.901 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -91.31 -155.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.032 2.488 . . . . 74.15 111.161 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.48 -156.87 28.67 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.927 -0.654 . . . . 74.25 112.397 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -142.73 107.19 4.79 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.025 -0.361 . . . . 73.15 110.025 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 95.9 mmm -101.96 87.87 3.21 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.806 -0.442 . . . . 73.31 109.806 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -89.73 81.5 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 74.11 109.998 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.67 178.9 53.21 Favored Glycine 0 C--O 1.236 0.273 0 CA-C-N 115.607 -0.724 . . . . 71.41 112.732 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -92.92 150.53 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 122.433 0.293 . . . . 60.0 110.229 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 80.9 mtp -104.78 117.7 58.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.499 -0.319 . . . . 62.34 110.918 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -82.3 165.49 16.61 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.817 2.345 . . . . 74.34 111.721 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -69.76 149.1 48.33 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.247 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -87.85 127.79 35.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.54 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -84.17 90.01 7.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 75.4 110.772 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.86 106.91 18.32 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.471 -0.566 . . . . 62.5 109.471 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.33 -31.75 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 74.21 110.985 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.99 135.17 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 64.33 110.702 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -95.39 142.38 27.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.545 -0.539 . . . . 71.11 109.545 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' HG2' ' A' ' 79' ' ' GLN . 62.3 m -148.98 132.27 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.657 0.265 . . . . 74.11 110.868 -177.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -146.28 142.63 28.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.294 -0.632 . . . . 70.33 109.294 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 34.9 m -85.39 137.71 32.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.451 -0.341 . . . . 71.23 110.179 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.83 139.64 47.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.289 -0.414 . . . . 74.21 110.144 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -147.26 123.3 10.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 74.33 109.823 175.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' HB ' HD11 ' A' ' 92' ' ' LEU . 13.5 p -136.46 150.64 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.562 -0.29 . . . . 72.44 110.884 -174.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 p -98.8 117.37 33.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.613 0.244 . . . . 74.2 111.2 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.3 162.72 32.34 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 111.021 -0.832 . . . . 41.4 111.021 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -143.24 -78.89 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.754 0.777 . . . . 54.14 111.946 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -100.51 149.18 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 73.31 109.952 -176.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.664 ' HB3' ' HA ' ' A' ' 99' ' ' SER . 7.5 tp-100 64.57 73.08 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.862 0.726 . . . . 75.34 109.677 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.86 -135.58 37.94 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.525 -0.761 . . . . 52.52 111.693 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.3 m -140.43 -35.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 73.2 110.126 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.535 ' HB2' HG21 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -169.04 125.04 0.91 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.855 -0.611 . . . . 63.04 109.465 -179.285 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 32.5 m-85 -83.83 109.41 17.53 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.18 0.514 . . . . 70.11 111.633 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -52.91 -27.02 16.8 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.043 -0.98 . . . . 70.43 110.847 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.43 -63.01 1.42 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.433 -0.348 . . . . 63.52 110.962 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' HD2' ' HB2' ' A' ' 49' ' ' PHE . 78.8 m-85 -63.66 -36.95 85.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.101 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 m -61.23 -41.77 97.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.22 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.62 -45.99 87.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.411 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.7 -51.16 69.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.275 -0.42 . . . . 65.33 111.097 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.87 -54.76 42.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.285 0.564 . . . . 63.1 110.244 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -61.39 -39.5 90.9 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.63 -0.714 . . . . 74.43 111.735 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.5 -43.98 53.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 61.14 110.684 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.01 85.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 73.43 111.142 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 -12.54 31.13 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.9 0.381 . . . . 74.52 110.982 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 m 65.83 61.57 0.65 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.236 -0.438 . . . . 74.53 111.434 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 140.9 30.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.322 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.2 m -112.41 151.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.93 -0.767 . . . . 63.31 108.93 173.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.47 -138.94 6.82 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.991 -0.843 . . . . 63.55 110.991 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 148.02 5.67 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 117.429 0.615 . . . . 74.34 111.423 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -139.04 144.9 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.501 -0.318 . . . . 72.34 110.724 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -153.71 161.86 41.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.091 0.956 . . . . 62.0 109.229 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.669 ' HB2' HG23 ' A' ' 119' ' ' ILE . 9.9 t30 -102.4 153.85 19.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.849 -0.426 . . . . 73.4 109.849 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -118.53 158.69 24.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.771 -0.455 . . . . 74.0 109.771 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.24 -24.87 60.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.951 0.405 . . . . 73.5 111.257 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -68.02 -7.53 29.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.191 -0.459 . . . . 73.01 111.468 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.11 3.29 76.29 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.424 -0.671 . . . . 64.4 111.424 -175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -91.79 129.12 37.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.596 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 48' ' ' PHE . 35.9 t -92.69 114.88 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.687 -0.857 . . . . 61.55 108.687 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 m -122.02 157.33 31.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.549 -0.296 . . . . 50.11 110.653 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.95 -161.72 33.0 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.265 -0.493 . . . . 53.55 112.477 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.551 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 62.1 t -139.98 135.42 37.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 122.867 0.467 . . . . 74.14 110.392 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.11 134.46 53.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 123.717 0.636 . . . . 63.53 109.685 173.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.564 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.3 mt-30 -136.29 153.53 51.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.229 -0.442 . . . . 75.34 109.992 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.91 -159.12 25.42 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.842 -0.503 . . . . 73.2 111.842 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 134.6 33.84 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.246 1.964 . . . . 73.32 110.758 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -56.74 -20.7 23.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.154 0.427 . . . . 71.14 112.154 -173.388 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 32.7 mt-10 -67.28 -51.72 49.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.78 0.8 . . . . 53.44 109.899 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.89 -29.68 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.293 -0.867 . . . . 73.41 110.445 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.88 -41.44 90.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.039 -0.726 . . . . 73.43 109.039 170.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.494 ' HA ' HG12 ' A' ' 89' ' ' VAL . 19.6 t70 -64.38 -35.36 80.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.973 -0.558 . . . . 72.04 110.604 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 90' ' ' LYS . . . -63.72 -41.47 98.06 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.099 0.476 . . . . 62.15 110.827 175.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 8.8 t80 -68.13 -42.5 80.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 72.11 110.428 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 86' ' ' ASP . 9.7 p -64.27 -34.59 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 110.013 -0.365 . . . . 71.34 110.013 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 87' ' ' ALA . 13.8 ttpp -53.35 -53.34 52.57 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.105 -0.702 . . . . 73.32 109.105 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.0 t80 -59.47 -39.87 85.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.519 -0.764 . . . . 71.31 110.81 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -65.19 -41.25 94.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.68 0.276 . . . . 60.14 110.393 -176.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -61.93 -31.3 71.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.013 0.435 . . . . 73.34 110.539 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.05 -23.27 26.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.704 . . . . 75.41 110.269 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' TYR . . . 56.57 -159.7 8.56 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.038 -0.825 . . . . 31.54 111.038 -171.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.3 m -74.91 118.05 67.41 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 107.857 -1.164 . . . . 75.45 107.857 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 9.69 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.881 0 C-N-CA 123.204 2.603 . . . . 63.34 114.44 -168.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -118.95 -22.69 7.18 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.062 0.458 . . . . 75.23 109.988 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 22.7 t -92.02 -179.1 5.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.928 -0.578 . . . . 65.2 110.48 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.87 105.07 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 110.143 -0.317 . . . . 74.34 110.143 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.38 119.68 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.393 -0.595 . . . . 73.33 109.393 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -87.97 -41.42 13.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 64.2 111.874 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . 6.9 ttpm? -147.99 135.43 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.602 0.239 . . . . 72.44 111.267 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.86 142.4 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.451 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.0 m -138.18 139.15 39.21 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.46 -0.57 . . . . 74.04 109.46 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.1 mm -126.48 148.67 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.074 -0.343 . . . . 72.12 110.074 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 10.1 t-80 -128.36 143.12 50.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.846 0.355 . . . . 63.51 110.619 -176.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.58 6.28 3.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -170.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.612 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 67.8 m -59.84 138.86 57.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.422 0.629 . . . . 75.32 112.367 -167.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.3 m -71.37 178.38 3.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.647 -1.16 . . . . 61.2 112.548 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -59.23 136.3 57.91 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.159 -0.928 . . . . 70.34 112.24 -174.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' H ' ' NE2' ' A' ' 79' ' ' GLN . 27.7 m -131.84 175.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.58 -0.736 . . . . 51.15 110.015 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.19 126.84 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.995 -0.372 . . . . 74.32 109.995 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.97 147.93 50.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.228 -0.442 . . . . 61.52 111.724 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 8.7 t70 -121.31 -43.34 2.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.937 -0.574 . . . . 74.33 110.703 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.49 141.43 4.08 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.261 -0.495 . . . . 52.42 112.657 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.08 111.93 23.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.452 -0.573 . . . . 64.33 109.452 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.7 pt-20 -162.72 127.33 3.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 71.34 110.474 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.8 mp -66.76 86.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.618 0.723 . . . . 71.13 110.022 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.569 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.9 mtt180 -81.38 144.33 31.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.737 -1.12 . . . . 61.44 110.8 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.71 -0.662 . . . . 75.33 109.337 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.146 -0.316 . . . . 72.33 110.146 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.67 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 63.04 110.224 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -157.35 102.04 1.9 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.81 0.338 . . . . 73.32 110.394 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -146.86 151.71 37.53 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.094 0.557 . . . . 74.33 110.142 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -139.67 94.45 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 72.12 110.37 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -100.0 124.11 44.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.681 -0.489 . . . . 74.41 109.681 175.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -122.11 127.21 49.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.096 -0.335 . . . . 74.24 110.096 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -164.78 141.84 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.207 -0.664 . . . . 71.51 109.207 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.9 ptp -74.51 156.46 36.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 63.23 110.744 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.85 35.99 2.63 Favored Glycine 0 N--CA 1.453 -0.181 0 N-CA-C 111.107 -0.797 . . . . 74.43 111.107 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -66.84 156.46 35.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.33 -0.435 . . . . 73.24 111.229 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -150.25 105.27 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.678 -0.86 . . . . 73.43 108.678 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.51 145.57 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.383 -0.372 . . . . 62.32 110.172 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.36 108.41 16.03 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.304 -0.407 . . . . 75.13 110.622 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -113.14 126.76 55.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 73.33 110.191 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -138.78 159.24 42.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.494 -0.321 . . . . 72.31 110.304 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -167.17 138.9 3.25 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 71.34 109.611 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.77 155.0 49.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.002 -0.618 . . . . 71.43 111.912 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.7 43.57 1.53 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.078 2.519 . . . . 74.15 111.605 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.34 -68.28 3.17 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.111 -0.796 . . . . 74.25 111.111 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.2 m -152.59 142.24 21.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 73.15 109.791 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 22' ' ' MET . 4.1 ppp? -70.81 153.25 42.91 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.472 -0.566 . . . . 73.31 109.472 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.0 132.9 45.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.909 0.385 . . . . 74.11 110.88 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.24 57.09 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.607 -0.597 . . . . 71.41 111.607 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 p -89.08 149.26 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.645 0.26 . . . . 60.0 110.473 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.6 ptp -99.15 117.53 63.99 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.41 -0.359 . . . . 62.34 110.315 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.19 179.25 6.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.645 2.23 . . . . 74.34 112.182 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -140.38 93.99 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.017 0.436 . . . . 70.24 110.14 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -159.81 137.82 10.14 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.246 -0.649 . . . . 73.11 109.246 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -107.77 142.6 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.108 -0.331 . . . . 75.4 110.108 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -79.22 -170.09 2.12 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.257 -0.429 . . . . 62.5 111.017 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.03 -31.18 68.69 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.469 -0.332 . . . . 74.21 111.051 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p -137.81 138.58 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.136 -0.484 . . . . 64.33 110.225 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.4 m -94.58 146.27 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.782 -0.451 . . . . 71.11 109.782 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 79' ' ' GLN . 76.2 m -147.29 134.74 20.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.275 -0.268 . . . . 74.11 110.275 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.46 142.9 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.348 -0.612 . . . . 70.33 109.348 172.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 63.6 m -89.07 143.1 27.09 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.93 -0.396 . . . . 71.23 109.93 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CE1' ' HB ' ' A' ' 78' ' ' VAL . 1.3 m-85 -111.73 139.24 47.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.769 -0.456 . . . . 74.21 109.769 -178.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -146.82 111.27 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 74.33 108.819 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.11 145.62 32.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.481 0.658 . . . . 72.44 111.001 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.438 HG22 ' HB3' ' A' ' 73' ' ' SER . 36.8 p -118.66 132.81 56.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.067 -1.086 . . . . 74.2 108.067 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . -166.14 160.34 33.83 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 119.962 -1.113 . . . . 41.4 113.293 -176.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -71.2 88.55 0.83 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.201 -0.666 . . . . 54.14 109.201 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 10.2 p -81.75 140.42 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.617 -0.719 . . . . 73.31 111.028 -175.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -113.29 96.2 5.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.048 -0.723 . . . . 75.34 109.048 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.19 -88.64 1.28 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.345 -0.702 . . . . 52.52 111.345 -174.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.44 162.08 39.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 110.27 -0.27 . . . . 73.2 110.27 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -70.56 78.98 0.58 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.93 -0.396 . . . . 63.04 109.93 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' HE2' ' HB2' ' A' ' 99' ' ' SER . 3.7 p90 4.07 76.96 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.204 1.402 . . . . 70.11 114.372 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.526 ' HB2' HD13 ' A' ' 119' ' ' ILE . 64.9 ttt180 -65.55 -19.49 65.94 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.99 -0.55 . . . . 70.43 109.902 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.87 -59.38 5.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.902 -0.59 . . . . 63.52 110.013 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -72.7 -38.07 67.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.67 -0.695 . . . . 73.2 110.887 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.2 m -58.12 -46.73 85.08 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.016 0.436 . . . . 73.23 110.583 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -65.06 -47.14 78.36 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.906 -0.588 . . . . 52.34 110.14 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -52.47 -51.53 58.88 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.304 0.377 . . . . 65.33 110.49 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.38 -57.41 12.89 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.657 -0.702 . . . . 63.1 110.782 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.75 96.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.685 -0.689 . . . . 74.43 111.562 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.96 -36.19 81.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 61.14 111.018 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.96 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.482 -0.326 . . . . 73.43 111.321 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 78.0 mt -89.27 -8.04 54.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.939 0.348 . . . . 74.52 111.939 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m 67.79 58.81 0.48 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.096 0.558 . . . . 74.53 111.558 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.3 mm? -92.16 133.93 35.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.903 -0.589 . . . . 73.12 109.501 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -110.72 152.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.112 -0.329 . . . . 63.31 110.112 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.7 -134.77 4.88 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.238 -0.745 . . . . 63.55 111.238 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.08 149.56 6.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.168 0.484 . . . . 74.34 110.822 177.11 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.75 141.96 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 123.179 0.299 . . . . 72.34 110.344 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.694 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 8.8 t -152.25 162.09 41.65 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.849 0.718 . . . . 62.0 109.932 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.549 ' HB2' HG23 ' A' ' 119' ' ' ILE . 6.4 t30 -110.41 142.33 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 73.4 110.26 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -102.26 149.2 24.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.067 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.9 -24.21 62.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.216 0.531 . . . . 73.5 110.744 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.67 -4.11 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.348 -0.842 . . . . 73.01 111.748 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.86 45.59 7.12 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.072 -0.585 . . . . 64.4 112.017 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.438 ' HB3' HG22 ' A' ' 41' ' ' THR . 31.8 p -152.55 142.26 21.91 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 110.131 -0.322 . . . . 74.3 110.131 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.34 133.02 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.969 -0.382 . . . . 61.55 109.969 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -135.36 160.39 38.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 50.11 110.683 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.75 -165.78 38.26 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.205 -0.758 . . . . 53.55 111.205 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.54 HG22 ' SG ' ' A' ' 37' ' ' CYS . 34.8 t -140.69 138.53 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 117.057 0.428 . . . . 74.14 110.19 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.429 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 73.6 t -116.71 140.58 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.584 -0.525 . . . . 63.53 109.584 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.562 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 75.34 109.964 177.696 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.07 -152.36 22.24 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.016 -0.833 . . . . 73.2 111.016 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 31.1 Cg_endo -65.71 127.37 17.77 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.465 2.11 . . . . 73.32 111.502 176.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.56 -30.77 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.98 0.733 . . . . 71.14 112.98 -176.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 8.1 pt-20 -70.25 -45.9 65.52 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.616 0.246 . . . . 53.44 111.355 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.557 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.401 0.143 . . . . 73.41 110.83 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 89' ' ' VAL . 62.4 t -58.54 -45.48 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.322 -0.622 . . . . 73.43 109.322 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.38 -39.96 89.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 72.04 110.318 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.629 -0.714 . . . . 62.15 110.752 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.51 -35.81 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 72.11 109.83 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 85' ' ' VAL . 92.7 t -60.45 -47.32 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.093 -0.503 . . . . 71.34 109.961 173.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -47.03 76.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.827 -0.624 . . . . 73.32 109.724 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -60.35 -43.53 96.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.146 -0.934 . . . . 71.31 110.853 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 60.14 110.387 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -64.15 -35.06 79.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.225 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -85.98 -37.28 19.17 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 75.41 110.983 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.74 -128.44 26.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.301 -0.72 . . . . 31.54 111.301 -172.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.3 m -155.63 154.34 27.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.511 -0.552 . . . . 75.45 109.511 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -59.55 -11.85 15.43 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.034 2.489 . . . . 63.34 113.037 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -75.94 -26.16 56.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.625 -0.261 . . . . 75.23 111.105 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 50.0 m -150.37 137.03 19.04 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.833 0.349 . . . . 65.2 110.65 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.4 t -92.49 99.78 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 74.34 111.22 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.491 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 29.8 m -67.27 140.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 73.33 110.247 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.77 -57.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.385 . . . . 64.2 111.302 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -143.41 131.25 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.29 -0.413 . . . . 72.44 110.489 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.17 142.39 24.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.351 -0.386 . . . . 63.52 110.282 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.3 m -138.02 130.84 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.311 -0.626 . . . . 74.04 109.311 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.4 mm -116.78 157.18 17.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 109.986 -0.375 . . . . 72.12 109.986 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 50.9 t-80 -133.2 144.51 49.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 121.226 0.536 . . . . 63.51 111.057 -177.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 7.62 0.94 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 116.082 1.882 . . . . 71.54 116.082 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.1 p -58.12 141.5 50.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.9 0.773 . . . . 75.32 113.031 -158.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m -70.99 178.36 3.24 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.2 -0.909 . . . . 61.2 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -50.93 131.09 26.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.953 -0.567 . . . . 70.34 112.523 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.05 176.16 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.494 -0.776 . . . . 51.15 109.621 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -98.16 116.06 29.6 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.961 -0.385 . . . . 74.32 109.961 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.98 145.15 42.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.15 -0.477 . . . . 61.52 111.602 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.17 -47.71 1.75 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.073 -0.512 . . . . 74.33 110.96 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.96 148.65 4.84 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.663 -0.78 . . . . 52.42 113.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -95.42 112.13 23.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.239 -0.652 . . . . 64.33 109.239 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.8 pt-20 -162.67 126.2 2.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 71.34 110.369 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.549 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -70.4 86.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.776 0.798 . . . . 71.13 109.476 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.694 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.0 mtt180 -77.44 144.53 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.47 -1.241 . . . . 61.44 110.522 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.367 -0.825 . . . . 75.33 110.422 -177.423 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.803 0.335 . . . . 72.33 110.227 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.28 27.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.179 -0.464 . . . . 63.04 110.044 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -157.42 137.74 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 73.32 110.823 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -87.32 176.83 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.135 -0.691 . . . . 74.33 109.135 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -150.65 138.98 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 72.12 110.775 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -95.81 173.07 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.047 -0.723 . . . . 74.41 109.047 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -150.42 116.1 5.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.045 0.45 . . . . 74.24 110.597 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -96.82 127.52 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 71.51 110.096 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' A' ' 9' ' ' MET . 1.5 pmm? -108.14 126.91 53.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.443 -0.577 . . . . 63.23 109.443 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.1 102.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.336 -0.935 . . . . 74.43 112.921 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 11.3 p -136.65 110.01 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.846 -0.427 . . . . 73.24 109.846 171.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER 169.06 87.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.209 -1.034 . . . . 73.43 108.209 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.54 -176.7 4.05 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.977 0.417 . . . . 62.32 111.135 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.59 151.02 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 75.13 111.992 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -113.21 133.96 54.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.641 -0.874 . . . . 73.33 108.641 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.2 m -130.69 132.45 45.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.937 0.399 . . . . 72.31 111.603 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -146.59 128.91 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.664 -0.698 . . . . 71.34 109.262 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.49 169.23 54.25 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.117 -0.563 . . . . 71.43 112.288 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.79 2.98 5.34 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.995 2.463 . . . . 74.15 112.534 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 168.18 27.71 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.118 -0.492 . . . . 74.25 112.511 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -110.38 -174.26 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.601 0.36 . . . . 73.15 110.403 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.9 ttt -130.72 133.16 45.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.59 -0.277 . . . . 73.31 110.344 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.23 152.54 44.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 74.11 110.366 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.78 105.44 0.18 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.831 -0.7 . . . . 71.41 112.428 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -130.69 161.95 30.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.558 -0.534 . . . . 60.0 109.558 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.5 mtt -145.12 119.52 5.64 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.812 -0.177 . . . . 62.34 110.665 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -87.77 109.07 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.153 2.569 . . . . 74.34 111.272 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 p -102.61 -179.41 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.33 -0.395 . . . . 70.24 110.7 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.0 m -69.75 137.26 51.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.11 110.428 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.573 ' H ' ' HG2' ' A' ' 82' ' ' LYS . 24.8 m -97.72 -151.05 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 75.4 109.49 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.55 178.72 1.93 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 121.037 -0.265 . . . . 62.5 110.433 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.71 -31.75 69.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 74.21 110.876 -174.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG21 ' NH2' ' A' ' 111' ' ' ARG . 39.8 t -131.17 97.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.422 0.63 . . . . 64.33 110.188 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' A' ' 82' ' ' LYS . 34.5 m -84.34 127.0 33.72 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.746 -1.116 . . . . 71.11 109.601 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -121.65 129.51 52.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.145 -0.317 . . . . 74.11 110.145 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.19 139.05 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.535 . . . . 70.33 109.674 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 51.1 t -90.91 135.42 33.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.051 -0.722 . . . . 71.23 109.051 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -111.94 146.43 37.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.298 . . . . 74.21 110.995 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -156.35 116.9 3.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 74.33 109.79 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HB ' HD11 ' A' ' 92' ' ' LEU . 12.6 p -123.89 145.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.32 . . . . 72.44 110.387 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.618 HG23 ' HB3' ' A' ' 102' ' ' LYS . 7.9 t -116.84 165.24 13.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.475 -0.565 . . . . 74.2 109.475 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.25 166.51 17.94 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.651 -0.785 . . . . 41.4 113.703 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HD2' HG23 ' A' ' 44' ' ' VAL . 1.3 tmtp? -87.87 -50.73 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.588 -0.893 . . . . 54.14 108.588 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.553 HG23 ' HD2' ' A' ' 43' ' ' LYS . 54.5 t -122.67 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.175 -0.676 . . . . 73.31 109.175 174.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 59.14 88.92 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 75.34 110.911 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.97 74.62 0.48 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.968 -0.56 . . . . 52.52 112.162 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.41 135.49 61.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.809 0.337 . . . . 73.2 110.167 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 119' ' ' ILE . 6.3 m-30 -87.14 159.98 18.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 63.04 110.44 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 23.6 t80 -73.57 115.72 13.31 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-O 121.134 0.492 . . . . 70.11 110.445 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.8 tpt180 -65.97 75.25 0.08 Allowed 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.495 -1.23 . . . . 70.43 110.991 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.0 tttm 160.11 -50.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 124.763 1.225 . . . . 63.52 107.98 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.704 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 11.2 m-30 -62.04 -38.06 87.29 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.998 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 48' ' ' PHE . 36.6 m -59.91 -53.52 56.89 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.608 -0.437 . . . . 73.23 111.048 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -60.75 -49.61 76.81 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.955 -0.566 . . . . 52.34 109.76 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -57.74 -43.51 85.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.048 -0.524 . . . . 65.33 110.407 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.59 -55.27 36.63 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.128 0.489 . . . . 63.1 110.067 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -55.75 -47.65 76.61 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.263 -0.88 . . . . 74.43 110.684 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.48 -43.07 99.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 61.14 110.856 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.64 75.2 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.813 -0.631 . . . . 73.43 111.502 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 84' ' ' GLN . 4.2 mm? -85.76 -7.23 58.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.508 -0.315 . . . . 74.52 110.726 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 68.03 47.05 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.362 0.601 . . . . 74.53 111.704 174.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 57' ' ' ALA . 1.8 mm? -84.55 133.72 34.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.764 -0.653 . . . . 73.12 109.431 173.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 18.5 m -104.07 153.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.677 . . . . 63.31 109.171 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.24 -132.19 5.05 Favored Glycine 0 CA--C 1.511 -0.167 0 N-CA-C 111.342 -0.703 . . . . 63.55 111.342 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.12 150.46 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.132 0.466 . . . . 74.34 111.112 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.7 t -138.97 141.9 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 116.564 -0.289 . . . . 72.34 110.87 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.581 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -152.39 161.91 41.93 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.106 0.879 . . . . 62.0 110.356 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' A' ' 121' ' ' ARG . 3.9 t-20 -96.54 155.57 16.71 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.088 -0.338 . . . . 73.4 110.088 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 0.8 OUTLIER -114.94 163.22 15.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.553 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.51 -47.15 63.4 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.873 0.733 . . . . 73.5 112.114 -175.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.01 -17.56 64.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.134 -0.485 . . . . 73.01 111.505 -175.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.87 2.18 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.891 -1.283 . . . . 64.4 109.891 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' A' ' 69' ' ' ASN . 46.7 t -123.41 126.54 46.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.062 -0.569 . . . . 74.3 109.7 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.75 114.89 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.472 -0.566 . . . . 61.55 109.472 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.6 p -121.94 166.86 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.294 -0.412 . . . . 50.11 110.502 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.02 -162.31 35.84 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.141 -0.552 . . . . 53.55 111.978 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -138.18 136.71 44.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 109.735 -0.469 . . . . 74.14 109.735 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.53 HG13 ' HB3' ' A' ' 62' ' ' LEU . 58.1 t -120.89 133.41 67.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 O-C-N 123.621 0.575 . . . . 63.53 109.462 176.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 63' ' ' VAL . 1.1 mt-30 -134.37 137.56 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.585 -0.524 . . . . 75.34 109.585 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -163.74 30.2 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.588 -0.605 . . . . 73.2 111.588 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 29.2 Cg_endo -62.41 130.75 31.22 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.148 1.899 . . . . 73.32 110.879 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG2' ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -58.65 -19.85 42.78 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 117.032 -0.076 . . . . 71.14 111.174 -172.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.58 -52.25 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.328 0.585 . . . . 53.44 110.177 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.442 ' HG3' HD12 ' A' ' 60' ' ' LEU . 2.5 mp0 -74.87 -32.17 61.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.479 -0.782 . . . . 73.41 110.519 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 89' ' ' VAL . 94.3 t -61.65 -44.65 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.168 -0.679 . . . . 73.43 109.168 172.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 25.5 t0 -66.75 -31.1 71.53 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.912 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 84' ' ' GLN . . . -59.98 -45.68 91.9 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.47 0.652 . . . . 62.15 110.044 172.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.95 -34.49 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.428 -0.805 . . . . 72.11 109.438 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 85' ' ' VAL . 72.3 t -61.65 -40.75 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.113 -0.494 . . . . 71.34 110.586 174.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 55.2 mmtt -60.6 -49.54 77.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.966 -0.753 . . . . 73.32 108.966 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -58.6 -34.84 71.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.21 -0.904 . . . . 71.31 110.614 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.497 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -71.17 -40.93 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.293 -0.412 . . . . 60.14 110.139 -177.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -67.61 -30.26 69.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.121 -0.49 . . . . 73.34 110.796 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -85.58 -29.03 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 75.41 110.136 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.64 -152.35 31.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.556 -0.747 . . . . 31.54 111.938 -175.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.9 m -93.21 120.7 66.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.804 -0.813 . . . . 75.45 108.804 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.3 -14.56 20.44 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.998 2.465 . . . . 63.34 113.373 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -75.13 -26.35 59.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.893 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.3 m -111.5 172.3 6.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 65.2 110.817 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.07 112.78 41.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.433 -0.58 . . . . 74.34 109.433 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.9 m -74.47 138.71 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 73.33 110.75 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 41' ' ' THR . 54.3 tptt -89.43 -57.7 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.356 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -155.49 141.35 18.13 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.585 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.84 142.29 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 63.52 109.918 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -137.76 126.06 23.21 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.725 -0.472 . . . . 74.04 109.725 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.7 mm -116.51 154.06 18.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.655 -0.498 . . . . 72.12 109.655 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 29.4 t-80 -133.81 147.22 51.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 63.51 110.682 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.47 0.94 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.4 m -59.99 129.93 44.23 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.36 0.6 . . . . 75.32 111.686 -167.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 m -78.06 178.4 7.55 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.116 -0.947 . . . . 61.2 111.836 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.425 ' NH2' HG21 ' A' ' 33' ' ' VAL . 25.6 ttm180 -42.62 129.13 4.12 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.015 0.822 . . . . 70.34 112.46 -176.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.21 175.99 8.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.189 -0.914 . . . . 51.15 109.79 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.31 121.01 22.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 74.32 110.465 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.49 40.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.134 -0.484 . . . . 61.52 111.475 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.75 -48.19 0.81 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.454 -0.339 . . . . 74.33 111.018 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.98 146.65 4.38 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.909 -0.662 . . . . 52.42 112.919 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.73 112.26 24.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.836 -0.431 . . . . 64.33 109.836 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.535 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.0 pt-20 -162.61 131.56 4.17 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.047 0.451 . . . . 71.34 110.208 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 21.9 mm -68.03 86.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.382 0.61 . . . . 71.13 109.971 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.581 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 57.8 mtt180 -81.54 138.21 35.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.979 -1.009 . . . . 61.44 110.435 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 68' ' ' ASN . 34.8 mtp-105 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.44 -0.79 . . . . 75.33 109.478 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.678 0.275 . . . . 72.33 110.287 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.09 96.15 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 63.04 110.362 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -110.21 29.74 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.232 -0.655 . . . . 73.32 109.232 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -131.67 101.24 5.4 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.507 -0.77 . . . . 74.33 110.487 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -77.57 148.38 35.21 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.618 -0.512 . . . . 72.12 109.618 175.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -160.44 136.88 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.205 -0.294 . . . . 74.41 110.205 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -141.04 93.0 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 74.24 111.532 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.47 154.83 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.408 -0.96 . . . . 71.51 108.408 168.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 62.7 mtt -68.95 -73.21 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.651 0.262 . . . . 63.23 111.632 -173.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.17 -126.62 6.02 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.944 -0.646 . . . . 74.43 112.326 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -99.89 115.34 29.39 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.141 0.496 . . . . 73.24 111.89 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.5 mp -117.67 -13.09 10.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.475 -0.784 . . . . 73.43 109.318 174.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -165.5 149.81 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.186 -1.042 . . . . 62.32 108.186 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.07 138.9 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.819 0.343 . . . . 75.13 110.893 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.88 143.68 47.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.746 -0.835 . . . . 73.33 108.746 175.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 m -114.87 110.53 19.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 72.31 111.709 -174.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 177.78 9.2 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.727 -0.67 . . . . 71.34 109.436 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.93 -176.49 25.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.819 -0.705 . . . . 71.43 112.119 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -98.04 -161.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.564 2.842 . . . . 74.15 112.3 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.53 28.41 0.15 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.688 -0.687 . . . . 74.25 111.935 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 p -140.79 88.55 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.808 0.337 . . . . 73.15 110.496 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 63.7 mtt -141.54 99.46 3.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.149 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -167.58 145.12 4.51 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.362 -0.381 . . . . 74.11 110.428 176.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.06 100.95 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.378 -0.689 . . . . 71.41 111.378 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -59.93 104.72 0.32 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.231 0.539 . . . . 60.0 110.977 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 89.6 mtp -141.0 154.96 68.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.465 -0.789 . . . . 62.34 109.83 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.11 154.51 27.78 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.539 2.159 . . . . 74.34 112.403 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.6 t -67.23 115.59 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.604 -0.517 . . . . 70.24 109.604 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 p -73.66 -174.16 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 73.11 111.284 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -92.72 2.26 56.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.37 -0.377 . . . . 75.4 111.471 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.63 99.58 0.61 Allowed 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.867 -0.42 . . . . 62.5 109.867 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -82.64 -31.46 28.74 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.122 -0.49 . . . . 74.21 109.896 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.31 106.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 64.33 109.714 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.456 ' HB ' HG21 ' A' ' 85' ' ' VAL . 35.5 m -83.45 125.47 31.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.549 -0.75 . . . . 71.11 110.456 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -119.07 128.8 54.67 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.628 -0.508 . . . . 74.11 109.628 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.77 134.94 25.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 70.33 109.52 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 58.0 m -89.65 134.63 34.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.706 -0.479 . . . . 71.23 109.706 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.9 m-85 -111.66 140.55 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 74.21 111.613 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 76.9 ttt180 -149.22 120.31 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.674 -0.693 . . . . 74.33 109.674 166.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.3 p -121.55 143.85 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.399 -0.593 . . . . 72.44 109.399 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 30.0 p -104.48 150.47 24.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.039 -0.528 . . . . 74.2 109.703 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.93 141.16 15.41 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.711 -0.757 . . . . 41.4 111.729 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.48 -43.08 70.51 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.741 -0.466 . . . . 54.14 109.741 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 m -122.91 83.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 73.31 110.151 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 60.02 98.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.804 -0.635 . . . . 75.34 111.074 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.44 95.84 0.32 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.688 -0.687 . . . . 52.52 113.208 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.2 m -125.38 123.18 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 73.2 109.594 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' HB3' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -88.87 146.92 24.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.9 -0.407 . . . . 63.04 109.9 -178.644 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.14 116.45 29.36 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.312 0.577 . . . . 70.11 111.654 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 2.9 tpp180 -48.05 -43.74 30.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.739 -1.119 . . . . 70.43 111.594 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -50.53 -60.85 2.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.07 -0.514 . . . . 63.52 111.42 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -69.4 -35.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.618 . . . . 73.2 111.074 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -58.44 -53.79 54.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.947 0.403 . . . . 73.23 110.524 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -69.93 -35.28 74.43 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.7 -178.257 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 61.9 tttp -58.6 -52.26 66.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.074 0.464 . . . . 65.33 110.048 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.68 -55.42 20.17 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.511 -0.768 . . . . 63.1 110.371 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -60.82 -38.53 85.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.486 -0.779 . . . . 74.43 111.779 -175.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 -40.42 65.11 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.817 0.342 . . . . 61.14 110.306 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.01 82.96 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.956 -0.565 . . . . 73.43 111.472 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 84' ' ' GLN . 3.3 mm? -92.94 -12.34 31.09 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.459 -0.337 . . . . 74.52 111.303 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.6 t 67.25 61.77 0.47 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.289 0.635 . . . . 74.53 111.433 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -93.65 149.28 21.36 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.801 -0.636 . . . . 73.12 109.692 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.7 m -123.8 164.43 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 63.31 110.013 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.75 -126.45 2.88 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 111.268 -0.733 . . . . 63.55 111.268 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.663 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.11 144.24 4.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.076 0.438 . . . . 74.34 111.051 176.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 117' ' ' PHE . 8.6 t -138.76 137.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.796 -0.638 . . . . 72.34 110.146 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.714 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.0 t -141.31 161.71 37.23 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.245 0.966 . . . . 62.0 109.534 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 74' ' ' VAL . 2.7 t30 -117.26 126.94 53.55 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.879 -0.415 . . . . 73.4 109.879 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -87.82 146.71 25.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 74.0 110.888 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.91 -30.9 64.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.04 -0.527 . . . . 73.5 111.093 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.24 -12.98 57.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.962 -0.563 . . . . 73.01 111.01 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.09 50.57 2.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 64.4 111.709 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 t -149.15 131.65 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.774 -0.454 . . . . 74.3 109.774 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 23.6 t -92.67 132.76 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 p -139.52 151.23 45.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 50.11 110.936 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 65' ' ' TYR . . . 169.89 -160.28 33.22 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.757 -0.537 . . . . 53.55 111.757 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.5 t -140.5 143.67 28.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 109.988 -0.375 . . . . 74.14 109.988 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.93 144.19 24.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 109.724 -0.473 . . . . 63.53 109.724 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB2' HG23 ' A' ' 63' ' ' VAL . 3.2 mt-30 -141.1 130.66 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.271 -0.641 . . . . 75.34 109.271 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.37 -174.08 37.05 Favored Glycine 0 CA--C 1.516 0.142 0 C-N-CA 120.986 -0.626 . . . . 73.2 112.134 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -59.89 139.02 86.09 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.581 2.187 . . . . 73.32 112.005 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -52.7 -33.13 46.21 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.653 0.612 . . . . 71.14 112.653 -173.764 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.1 pt-20 -70.27 -42.14 72.51 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.888 0.375 . . . . 53.44 110.726 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.522 ' HG3' HD12 ' A' ' 60' ' ' LEU . 1.7 mp0 -71.26 -37.83 71.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.298 -0.41 . . . . 73.41 110.365 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG21 ' HB ' ' A' ' 34' ' ' THR . 88.8 t -63.05 -36.59 76.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.691 -0.485 . . . . 73.43 109.691 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HA ' HG12 ' A' ' 89' ' ' VAL . 26.1 t70 -65.08 -40.97 95.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.705 -0.68 . . . . 72.04 109.98 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.05 81.67 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.065 0.459 . . . . 62.15 110.434 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -66.56 -47.39 72.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.417 -0.81 . . . . 72.11 111.258 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 86' ' ' ASP . 7.4 p -67.18 -36.16 76.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.397 0.618 . . . . 71.34 110.594 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.526 -0.761 . . . . 73.32 109.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.08 -40.02 86.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.546 -0.752 . . . . 71.31 109.875 170.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.427 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -59.59 -38.73 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 60.14 109.977 -179.056 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -62.64 -23.9 67.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.103 -0.499 . . . . 73.34 111.294 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -85.12 -34.13 22.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.212 0.53 . . . . 75.41 109.593 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.46 -93.23 0.29 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.283 -0.871 . . . . 31.54 111.858 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -160.54 133.71 4.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.187 -0.672 . . . . 75.45 109.187 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.34 9.32 0.41 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 122.712 2.275 . . . . 63.34 113.103 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -107.8 -0.71 21.47 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.672 0.389 . . . . 75.23 110.852 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -156.72 -176.0 5.73 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.432 -0.349 . . . . 65.2 110.089 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.55 134.73 58.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.298 -0.41 . . . . 74.34 110.142 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.85 145.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 73.33 111.005 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 21.8 ttmm -87.77 -57.46 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 64.2 109.476 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -158.07 134.52 9.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.909 -0.587 . . . . 72.44 110.705 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.34 139.48 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.028 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -137.74 124.68 21.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 74.04 110.38 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.7 mm -117.96 145.56 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.469 -0.332 . . . . 72.12 110.331 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 57.9 m170 -122.2 152.38 40.03 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.912 0.387 . . . . 63.51 110.952 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.48 5.85 11.8 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.787 1.235 . . . . 71.54 113.786 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.704 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.4 m -59.31 131.67 51.71 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.156 0.503 . . . . 75.32 111.667 -167.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 p -71.23 178.54 3.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.134 -0.939 . . . . 61.2 112.009 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -47.62 125.34 8.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.809 -0.632 . . . . 70.34 112.683 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.42 176.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.003 -0.999 . . . . 51.15 109.027 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.04 133.23 41.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.976 0.417 . . . . 74.32 110.257 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.39 139.82 54.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.429 -0.805 . . . . 61.52 112.315 -172.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.663 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 14.3 t70 -109.91 -48.72 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.033 -0.729 . . . . 74.33 109.033 176.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 147.68 139.91 3.3 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.537 -0.756 . . . . 52.42 112.478 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CD1' HG23 ' A' ' 66' ' ' VAL . 24.7 m-85 -82.2 112.13 18.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.652 -0.87 . . . . 64.33 108.652 171.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -159.94 121.21 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.094 0.474 . . . . 71.34 110.753 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.411 HG23 ' HB2' ' A' ' 68' ' ' ASN . 22.3 mm -63.35 87.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.441 0.639 . . . . 71.13 109.869 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.714 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 14.0 mtt-85 -65.56 131.09 45.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 61.44 111.421 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 114.935 -1.03 . . . . 75.33 109.645 -175.374 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.95 0.405 . . . . 72.33 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.28 134.11 30.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.92 -0.582 . . . . 63.04 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -155.66 115.73 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.652 0.263 . . . . 73.32 111.038 -173.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -81.3 156.6 25.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.35 -0.611 . . . . 74.33 109.35 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -151.73 137.76 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.378 . . . . 72.12 110.73 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -133.65 164.41 27.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.887 -0.783 . . . . 74.41 108.887 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -74.82 -44.97 46.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 74.24 110.919 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -137.16 138.42 40.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.412 . . . . 71.51 110.821 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.7 ptm -153.19 132.11 12.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.438 -0.579 . . . . 63.23 109.438 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.64 122.5 2.16 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.114 -0.794 . . . . 74.43 111.114 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 p -111.91 175.41 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.697 0.399 . . . . 73.24 110.798 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.4 117.52 34.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.637 -0.256 . . . . 73.43 110.543 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -140.14 85.14 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.551 0.691 . . . . 62.32 110.72 173.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.3 93.33 3.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.845 . . . . 75.13 109.097 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -108.29 172.89 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.892 -0.595 . . . . 73.33 110.75 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -151.72 168.24 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.31 109.883 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 -179.92 8.56 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.399 -0.364 . . . . 71.34 110.441 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.48 171.4 21.95 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.112 -0.494 . . . . 71.43 111.903 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -94.58 -156.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.341 2.694 . . . . 74.15 111.782 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.05 155.82 26.56 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 111.882 -0.487 . . . . 74.25 111.882 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -158.26 176.54 12.35 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.26 -0.274 . . . . 73.15 110.26 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.3 mtt -137.61 112.97 9.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.419 -0.355 . . . . 73.31 110.267 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -163.99 142.63 7.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.028 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.16 -158.19 21.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.958 -0.639 . . . . 71.41 112.544 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -147.55 167.17 25.19 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.78 0.324 . . . . 60.0 110.588 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -118.04 144.1 34.08 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-N 116.218 -0.446 . . . . 62.34 110.674 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.93 -175.93 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.288 2.659 . . . . 74.34 112.586 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -154.82 -176.97 6.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.14 -0.482 . . . . 70.24 110.208 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.3 t -154.41 172.43 17.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 73.11 109.757 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 p -150.57 22.35 0.81 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.434 0.635 . . . . 75.4 109.974 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.01 50.64 1.24 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.289 -0.868 . . . . 62.5 111.546 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.12 -21.98 63.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.1 0.476 . . . . 74.21 110.605 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.46 105.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 64.33 110.173 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 m -82.05 150.92 27.31 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.535 -0.757 . . . . 71.11 109.656 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -142.05 128.55 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 74.11 110.327 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -139.94 136.93 34.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 70.33 109.417 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.736 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 83.3 m -87.49 135.01 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.907 -0.405 . . . . 71.23 109.907 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.8 143.39 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.127 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -154.27 110.99 3.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.079 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -111.84 145.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.464 -0.569 . . . . 72.44 109.464 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 73' ' ' SER . 7.5 p -99.76 134.17 43.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.604 -0.517 . . . . 74.2 109.604 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.22 148.05 17.93 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.004 -0.617 . . . . 41.4 112.654 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -81.03 -35.07 32.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 54.14 110.345 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' GLY . 22.6 t -101.77 77.43 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.127 -0.488 . . . . 73.31 109.987 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 54.73 -82.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.206 -0.906 . . . . 75.34 111.654 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -173.9 30.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.127 -0.558 . . . . 52.52 112.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.5 p -80.86 94.46 2.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.675 0.75 . . . . 73.2 110.196 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' HB2' HG21 ' A' ' 74' ' ' VAL . 10.1 t80 -96.84 133.06 41.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.476 -0.784 . . . . 63.04 109.554 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -62.52 84.31 0.02 OUTLIER 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.676 0.621 . . . . 70.11 112.676 -176.34 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HE ' ' HB ' ' A' ' 119' ' ' ILE . 91.6 mtt180 -50.17 -41.05 48.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.294 -0.866 . . . . 70.43 111.826 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -53.9 -54.71 34.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.275 0.56 . . . . 63.52 111.056 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.98 -38.05 79.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.432 -0.804 . . . . 73.2 110.378 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -61.17 -41.13 96.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.009 0.433 . . . . 73.23 110.527 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.35 -51.87 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.24 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -56.44 -50.09 72.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.967 -0.56 . . . . 65.33 110.719 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.93 -56.99 14.88 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.534 -0.757 . . . . 63.1 110.573 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -61.88 -41.95 98.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 74.43 111.371 -175.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.35 -42.8 82.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.732 0.301 . . . . 61.14 110.86 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.01 68.9 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.229 -0.441 . . . . 73.43 111.019 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.485 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.4 mm? -80.17 -12.71 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.411 -0.358 . . . . 74.52 110.633 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 68.59 48.67 0.79 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.017 -0.538 . . . . 74.53 111.707 174.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.7 mm? -84.73 133.88 34.36 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.777 -0.453 . . . . 73.12 109.777 173.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 79' ' ' GLN . 20.0 m -111.4 163.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.227 -0.657 . . . . 63.31 109.227 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.11 -129.39 4.05 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.667 -0.973 . . . . 63.55 110.667 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 149.67 5.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.218 0.509 . . . . 74.34 110.926 177.281 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -139.32 149.39 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.973 -0.381 . . . . 72.34 109.973 175.19 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.7 t -161.69 161.83 29.58 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.899 0.749 . . . . 62.0 110.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . 56.8 t30 -95.76 164.49 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.419 -0.586 . . . . 73.4 109.419 174.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -130.96 153.26 49.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 74.0 109.114 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.87 -12.13 16.2 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.842 0.353 . . . . 73.5 111.07 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.21 -19.47 65.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.575 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.51 43.73 6.07 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.52 -1.032 . . . . 64.4 110.52 -171.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.493 ' HB3' HG22 ' A' ' 41' ' ' THR . 63.8 p -151.05 133.54 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.722 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 68' ' ' ASN . 59.4 t -92.57 115.0 30.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.37 -0.604 . . . . 61.55 109.37 177.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 p -115.17 156.96 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 50.11 110.685 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.95 -165.62 36.34 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.256 -0.497 . . . . 53.55 112.266 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.63 135.51 34.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 122.919 0.488 . . . . 74.14 109.954 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.24 136.53 49.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 124.011 0.819 . . . . 63.53 110.06 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 63' ' ' VAL . 35.0 mt-30 -132.54 151.72 51.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.04 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.91 -170.27 24.59 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.402 -0.679 . . . . 73.2 111.402 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.4 Cg_endo -57.34 138.75 87.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.332 2.022 . . . . 73.32 111.339 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.559 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -52.87 -33.06 48.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.411 0.522 . . . . 71.14 112.411 -173.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.559 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 9.5 pt-20 -70.02 -34.18 72.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.989 0.424 . . . . 53.44 110.937 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.518 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.9 mp0 -74.93 -43.11 55.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 73.41 110.428 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.29 -39.86 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 28.4 t70 -60.8 -42.29 97.31 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 115.241 -0.891 . . . . 72.04 110.412 174.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.43 81.41 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.17 0.51 . . . . 62.15 110.28 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -66.95 -38.53 86.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.647 -0.706 . . . . 72.11 111.181 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 86' ' ' ASP . 6.7 p -68.62 -38.07 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.955 -0.298 . . . . 71.34 110.513 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 74.8 mmtt -60.64 -47.44 86.22 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.835 -0.802 . . . . 73.32 108.835 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.32 -38.96 72.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.952 -1.022 . . . . 71.31 110.798 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -37.41 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 60.14 110.194 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -71.51 -23.48 61.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.318 -0.401 . . . . 73.34 110.437 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 11.3 mmmm -65.8 -42.38 90.76 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.04 0.448 . . . . 75.41 110.071 176.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.38 176.26 46.65 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.592 -0.731 . . . . 31.54 112.537 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 99' ' ' SER . 38.3 m -79.6 154.11 76.1 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 75.45 110.469 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.54 -54.56 5.15 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.045 2.497 . . . . 63.34 113.186 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.417 ' HB2' ' HZ3' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -120.99 -26.52 5.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.534 -0.303 . . . . 75.23 111.016 -177.775 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 96' ' ' SER . 10.1 m -70.84 78.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.86 -0.793 . . . . 65.2 108.86 172.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.41 140.17 13.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.349 -0.842 . . . . 74.34 111.494 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.53 139.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.808 -0.633 . . . . 73.33 110.148 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -82.9 -51.21 7.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 64.2 110.034 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -166.64 144.39 5.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.883 -0.599 . . . . 72.44 110.018 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.28 144.44 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.024 -0.361 . . . . 63.52 110.024 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.0 m -137.98 129.21 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.136 -0.69 . . . . 74.04 109.136 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.92 152.68 24.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 109.833 -0.432 . . . . 72.12 109.833 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 14.9 t-80 -135.08 145.88 48.37 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.21 0.529 . . . . 63.51 111.4 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.42 6.5 2.92 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.867 1.267 . . . . 71.54 114.346 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.736 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 53.2 m -59.88 138.04 57.91 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.417 0.627 . . . . 75.32 112.176 -167.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.6 p -76.03 178.56 6.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.788 -1.097 . . . . 61.2 112.068 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -50.5 124.18 10.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.671 -0.695 . . . . 70.34 112.165 -173.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -112.09 175.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.963 -0.754 . . . . 51.15 108.963 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.3 126.93 37.59 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.763 -0.458 . . . . 74.32 109.763 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.52 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 61.52 112.544 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.546 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 23.0 m-20 -115.23 -56.36 2.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.701 -0.681 . . . . 74.33 109.914 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.463 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.57 149.18 5.0 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.783 -0.644 . . . . 52.42 112.414 -176.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.475 ' CD2' ' HB ' ' A' ' 66' ' ' VAL . 54.5 m-85 -91.63 111.74 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.657 -0.32 . . . . 64.33 110.363 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 12.6 pt-20 -162.82 135.86 5.76 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 110.333 -0.247 . . . . 71.34 110.333 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.476 HG23 ' HB2' ' A' ' 68' ' ' ASN . 40.2 mm -72.33 86.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.438 0.637 . . . . 71.13 110.341 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.539 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 93.5 mtt180 -83.88 144.45 29.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 61.44 109.97 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.399 -0.81 . . . . 75.33 110.261 -177.444 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.106 0.479 . . . . 72.33 110.408 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 109.34 21.24 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.818 -0.628 . . . . 63.04 109.97 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -76.82 79.71 3.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.253 0.549 . . . . 73.32 110.409 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -69.67 118.74 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.421 -0.809 . . . . 74.33 109.797 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -63.22 -47.5 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.568 0.21 . . . . 72.12 111.568 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.7 t60 69.42 -31.63 0.21 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.749 1.388 . . . . 74.41 114.749 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -55.02 121.91 9.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.265 0.484 . . . . 74.24 111.997 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -121.2 111.14 17.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.783 -0.644 . . . . 71.51 109.635 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.7 ttm -105.57 150.97 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 63.23 110.996 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.94 171.58 14.04 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.557 -0.617 . . . . 74.43 111.557 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 m -125.25 160.64 28.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.235 -0.283 . . . . 73.24 110.235 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.8 mp -109.79 144.94 37.51 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.822 -0.436 . . . . 73.43 109.822 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.3 176.53 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.491 -0.322 . . . . 62.32 110.241 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.57 125.57 8.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.294 -0.412 . . . . 75.13 110.439 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -111.41 165.11 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.458 -0.337 . . . . 73.33 110.234 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.11 -176.2 4.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.079 0.466 . . . . 72.31 111.557 -175.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -130.18 155.17 46.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.861 -0.609 . . . . 71.34 109.811 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.15 140.64 7.13 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.277 -0.487 . . . . 71.43 111.941 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -94.87 -157.35 0.05 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.421 2.748 . . . . 74.15 112.023 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.94 158.87 28.04 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 111.339 -0.704 . . . . 74.25 111.339 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -94.34 172.98 7.86 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 109.959 -0.386 . . . . 73.15 109.959 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.1 tpp -163.29 130.81 3.55 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.762 0.315 . . . . 73.31 111.185 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -151.9 129.12 11.19 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.256 -0.646 . . . . 74.11 109.256 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.59 168.43 26.56 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.147 -0.549 . . . . 71.41 113.223 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -161.23 107.86 1.42 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.994 0.518 . . . . 60.0 109.613 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.535 ' SD ' ' N ' ' A' ' 26' ' ' MET . 1.3 mpt? -110.63 150.81 42.26 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.67 -175.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.64 -178.61 4.42 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.72 2.28 . . . . 74.34 111.783 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -152.11 -171.39 3.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.949 -0.389 . . . . 70.24 109.949 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m 68.61 151.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.096 0.558 . . . . 73.11 111.212 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.0 p -144.75 -57.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 75.4 110.946 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.15 145.71 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.783 -0.644 . . . . 62.5 110.921 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -111.13 -31.47 7.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.115 0.483 . . . . 74.21 109.765 171.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -138.34 130.97 39.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.578 -0.737 . . . . 64.33 109.849 177.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -84.87 135.27 34.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.435 -0.58 . . . . 71.11 109.435 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 79' ' ' GLN . 95.2 m -142.99 133.75 25.29 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.401 -0.222 . . . . 74.11 110.401 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' A' ' 106' ' ' ILE . 4.9 mp -147.51 140.56 25.07 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.067 -0.515 . . . . 70.33 110.494 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 59.3 m -81.87 140.32 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 71.23 110.299 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -112.32 141.18 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.391 . . . . 74.21 111.177 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' A' ' 105' ' ' SER . 9.3 ttp180 -147.41 110.77 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 74.33 109.096 172.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.86 149.2 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.737 0.303 . . . . 72.44 110.773 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 12.8 p -106.69 135.32 48.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.343 -0.389 . . . . 74.2 110.703 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.51 114.9 3.91 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 121.113 -0.565 . . . . 41.4 112.113 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -76.72 -41.5 44.9 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.131 0.491 . . . . 54.14 110.056 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 59.2 t -106.58 132.52 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.51 -0.768 . . . . 73.31 109.873 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.42 88.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.528 . . . . 75.34 110.272 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.8 151.36 23.1 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.425 -0.807 . . . . 52.52 111.504 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.49 119.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 73.2 111.465 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HD2' HD11 ' A' ' 119' ' ' ILE . 44.4 t80 -68.69 102.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.852 -1.166 . . . . 63.04 107.852 171.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 48.3 m-85 -59.68 91.56 0.02 OUTLIER 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.591 0.589 . . . . 70.11 112.591 -172.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.555 ' HB3' HG12 ' A' ' 119' ' ' ILE . 14.4 ptm180 -54.48 -26.44 31.37 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.192 -0.913 . . . . 70.43 110.621 173.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -45.34 84.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.744 0.306 . . . . 63.52 110.274 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -74.05 -34.73 64.16 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.059 -0.348 . . . . 73.2 110.059 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -60.84 -39.35 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 73.23 110.024 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 9.0 mtpm? -71.4 -38.24 71.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.065 -0.516 . . . . 52.34 110.951 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.81 -52.17 66.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 65.33 109.921 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -59.68 -57.21 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.287 -0.869 . . . . 63.1 110.544 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -58.13 -45.41 87.4 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.298 -0.865 . . . . 74.43 111.641 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.69 -44.27 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.767 0.318 . . . . 61.14 111.262 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.67 88.22 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.104 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -83.41 -11.71 57.26 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.022 -0.535 . . . . 74.52 110.745 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 67.82 46.93 1.19 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.243 0.617 . . . . 74.53 112.121 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.24 138.63 33.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.827 -0.624 . . . . 73.12 109.417 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 79' ' ' GLN . 33.2 m -111.6 158.84 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.022 -0.732 . . . . 63.31 109.022 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.64 -141.48 9.8 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 110.84 -0.904 . . . . 63.55 110.84 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.03 147.33 5.57 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.301 0.55 . . . . 74.34 111.572 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.8 148.54 24.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.952 -0.567 . . . . 72.34 109.631 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -157.29 161.85 39.15 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 124.216 0.948 . . . . 62.0 109.709 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.1 t-20 -107.25 130.57 54.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.072 0.463 . . . . 73.4 110.937 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.36 155.53 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 74.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.94 -24.65 39.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.772 0.429 . . . . 73.5 111.711 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.47 -11.06 59.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.28 -0.418 . . . . 73.01 111.58 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.73 21.13 48.47 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.341 -0.704 . . . . 64.4 111.341 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 p -112.08 138.66 48.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.858 -0.423 . . . . 74.3 109.858 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.95 121.22 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.652 -0.499 . . . . 61.55 109.652 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -124.27 164.32 19.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.691 0.282 . . . . 50.11 111.022 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.66 -161.14 34.36 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.193 -0.458 . . . . 53.55 112.183 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.68 140.61 33.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 122.694 0.397 . . . . 74.14 110.058 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.02 141.15 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.823 -0.436 . . . . 63.53 109.823 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.4 mt-30 -142.07 131.27 23.4 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.51 -0.552 . . . . 75.34 109.51 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.4 -169.87 37.03 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 111.826 -0.51 . . . . 73.2 111.826 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.505 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 30.1 Cg_endo -63.8 141.12 77.22 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.465 2.11 . . . . 73.32 111.221 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -27.26 57.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.366 0.266 . . . . 71.14 111.591 -173.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 63.6 mm-40 -64.44 -49.37 71.73 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.887 0.851 . . . . 53.44 110.392 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.505 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.4 mp0 -75.05 -31.02 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.094 -0.957 . . . . 73.41 110.618 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.155 -0.683 . . . . 73.43 109.155 173.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 83' ' ' GLU . 19.1 t70 -59.73 -48.34 82.06 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.565 -0.743 . . . . 72.04 110.052 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.86 63.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.777 -0.647 . . . . 62.15 110.681 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.2 t80 -66.57 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.234 -0.894 . . . . 72.11 111.263 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.4 p -64.85 -35.25 74.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.915 0.388 . . . . 71.34 110.425 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.47 -37.36 77.26 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.331 -0.395 . . . . 73.32 110.445 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.46 -40.79 92.49 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.33 -0.619 . . . . 71.31 109.33 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -36.72 84.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.562 -0.745 . . . . 60.14 110.285 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.65 -29.17 67.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.297 -0.411 . . . . 73.34 110.16 176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.599 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.7 tpmt? -80.02 -37.32 34.33 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.829 -0.623 . . . . 75.41 109.892 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.86 -117.81 4.58 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.485 -0.779 . . . . 31.54 112.203 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -126.42 144.73 50.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.573 -0.528 . . . . 75.45 109.573 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.29 -15.43 49.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.972 1.782 . . . . 63.34 111.397 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 57.3 tptt -97.57 -26.63 14.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.107 -0.497 . . . . 75.23 110.888 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.487 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 4.9 p -142.67 129.57 20.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 65.2 110.993 -175.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.6 t -87.11 152.63 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.061 -0.518 . . . . 74.34 109.831 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.12 131.55 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.98 0.419 . . . . 73.33 110.659 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 62.7 tttm -77.41 -51.1 11.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.643 -0.873 . . . . 64.2 108.643 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -162.91 148.51 12.01 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.111 -0.95 . . . . 72.44 109.467 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.26 143.83 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.52 110.398 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.408 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 37.7 m -133.53 126.97 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 74.04 109.66 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 36' ' ' LEU . 12.1 mm -117.72 155.93 19.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 51.3 t-80 -137.79 144.75 41.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.361 . . . . 63.51 110.734 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.37 6.46 1.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.11 1.522 . . . . 71.54 115.11 -170.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.593 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.64 133.49 56.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.581 0.628 . . . . 75.32 112.125 -167.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.1 p -69.43 178.32 2.49 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.189 -0.914 . . . . 61.2 112.504 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' HG3' HE21 ' A' ' 79' ' ' GLN . 45.1 ttp180 -52.82 138.2 30.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.723 . . . . 70.34 111.838 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.72 176.16 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.712 -0.676 . . . . 51.15 110.506 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.99 124.53 24.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.003 -0.544 . . . . 74.32 110.023 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 61.52 111.043 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 22.9 t70 -140.72 -51.72 0.47 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.915 -0.584 . . . . 74.33 110.404 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.98 141.32 3.33 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.044 -0.526 . . . . 52.42 112.564 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.38 112.61 21.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.504 -0.554 . . . . 64.33 109.504 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 14.9 pt-20 -156.29 169.67 24.03 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.386 -0.525 . . . . 71.34 110.56 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.609 HG23 ' HB2' ' A' ' 68' ' ' ASN . 36.6 mm -102.59 86.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.268 0.556 . . . . 71.13 110.172 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.489 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.9 mtt180 -87.4 144.24 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.78 -1.1 . . . . 61.44 109.794 175.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.292 -0.861 . . . . 75.33 109.846 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.206 0 CA-C-O 120.622 0.249 . . . . 72.33 110.34 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.56 131.34 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 63.04 110.315 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -116.59 98.16 6.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.259 -0.645 . . . . 73.32 109.259 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -68.26 139.66 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 74.33 111.586 -174.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -158.33 168.91 25.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.242 -1.021 . . . . 72.12 108.242 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -131.16 139.32 49.75 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.932 0.396 . . . . 74.41 111.577 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -136.71 115.27 11.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.616 -0.72 . . . . 74.24 109.286 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -67.3 156.42 36.45 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 71.51 111.136 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.7 ttp -54.53 111.85 0.89 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.079 -0.51 . . . . 63.23 111.036 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.79 41.03 0.59 Allowed Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.16 -0.776 . . . . 74.43 111.16 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 p -111.65 152.36 27.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.933 0.397 . . . . 73.24 111.338 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.02 164.15 24.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.732 -0.667 . . . . 73.43 109.485 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.16 139.55 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.846 -0.427 . . . . 62.32 109.846 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.954 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -92.97 15.24 15.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.556 1.169 . . . . 73.33 111.206 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 t -155.17 -173.53 4.6 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 112.666 -2.061 . . . . 72.31 110.021 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -146.18 -178.32 6.08 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 122.522 0.329 . . . . 71.34 110.188 -178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.99 125.11 35.65 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.467 -0.653 . . . . 71.43 111.467 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.7 8.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.899 2.399 . . . . 74.15 113.028 -174.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 22' ' ' MET . . . -74.95 -104.24 0.09 OUTLIER Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.167 -0.54 . . . . 74.25 112.298 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p 46.54 33.68 2.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.533 0.733 . . . . 73.15 111.955 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 20' ' ' GLY . 26.4 mmt -136.24 135.56 39.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 73.31 109.713 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.49 179.1 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.439 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -173.91 87.02 0.08 OUTLIER Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.99 -0.624 . . . . 71.41 112.162 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 p -73.9 151.83 40.32 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 110.232 -0.284 . . . . 60.0 110.232 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 26' ' ' MET . 1.5 pmm? -129.63 136.69 29.48 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 116.573 -0.285 . . . . 62.34 111.113 -176.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 12.9 Cg_exo -71.42 -175.41 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.941 2.427 . . . . 74.34 111.528 174.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 m -148.43 159.28 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 70.24 111.087 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 p -166.09 106.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.823 -0.626 . . . . 73.11 109.758 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 m -82.92 138.53 33.8 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.44 -0.346 . . . . 75.4 111.09 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.54 144.9 56.17 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.23 -0.441 . . . . 62.5 110.452 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.67 -31.66 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.21 111.781 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.72 137.47 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.559 -0.291 . . . . 64.33 110.32 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 m -92.92 141.59 28.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.611 -0.515 . . . . 71.11 109.611 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.1 m -143.74 137.45 28.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.741 0.305 . . . . 74.11 110.779 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.09 140.98 29.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 70.33 109.339 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 43.6 t -91.29 136.68 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.422 -0.584 . . . . 71.23 109.422 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.54 141.63 44.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 74.21 110.756 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -150.38 110.42 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.454 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 104' ' ' VAL . 14.5 p -107.6 147.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 72.44 109.985 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.0 p -116.96 117.15 28.89 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.856 -0.794 . . . . 74.2 108.856 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . -156.78 178.26 33.3 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.527 -0.844 . . . . 41.4 113.383 -174.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -99.61 88.38 3.82 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.721 0.808 . . . . 54.14 110.062 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -81.9 95.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.775 0.797 . . . . 73.31 110.878 -178.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 82.2 mm-40 -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.107 -0.701 . . . . 75.34 109.107 175.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.42 -110.66 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 111.041 -0.824 . . . . 52.52 111.041 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -138.7 152.13 24.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.802 0.334 . . . . 73.2 110.757 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' HB3' ' CD1' ' A' ' 119' ' ' ILE . 35.7 t80 -69.57 115.56 8.96 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.22 -1.03 . . . . 63.04 108.22 174.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -54.35 97.09 0.02 OUTLIER 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.191 0.812 . . . . 70.11 113.191 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.737 ' HD3' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mmm180 -55.63 -29.19 58.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.114 -0.948 . . . . 70.43 111.086 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.63 -50.63 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 63.52 110.803 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.18 -32.02 49.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.843 -0.617 . . . . 73.2 110.524 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -61.45 -47.88 83.7 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.078 0.466 . . . . 73.23 110.009 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -62.74 -48.27 79.92 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.388 -0.824 . . . . 52.34 110.104 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 1.6 tmtm? -52.53 -51.7 58.36 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.31 -0.405 . . . . 65.33 110.48 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 4.5 tp10 -63.02 -58.61 6.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.939 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.496 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -63.59 -44.66 93.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.741 -0.663 . . . . 74.43 111.49 -175.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.59 -37.62 85.28 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.348 -0.387 . . . . 61.14 111.149 -177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.14 66.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.71 0.29 . . . . 73.43 111.475 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.8 -4.67 54.64 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.194 0.442 . . . . 74.52 112.194 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m 68.26 49.11 0.85 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.26 0.467 . . . . 74.53 112.26 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' HB3' HG13 ' A' ' 78' ' ' VAL . 2.8 mm? -97.89 133.7 42.02 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.762 -0.829 . . . . 73.12 108.762 168.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 79' ' ' GLN . 34.0 m -123.28 172.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.853 -0.425 . . . . 63.31 109.853 176.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 143.78 -120.98 1.56 Allowed Glycine 0 C--O 1.236 0.256 0 N-CA-C 111.163 -0.775 . . . . 63.55 111.163 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.589 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 150.66 6.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.089 0.444 . . . . 74.34 111.447 176.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.03 146.0 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 116.503 -0.317 . . . . 72.34 110.942 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -155.18 161.81 41.11 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.754 0.822 . . . . 62.0 109.178 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.639 ' HB2' HG23 ' A' ' 119' ' ' ILE . 28.4 t-20 -122.54 115.66 22.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.842 0.353 . . . . 73.4 110.594 -175.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.53 149.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 74.0 109.969 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.85 -38.93 52.05 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.284 0.476 . . . . 73.5 112.284 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.02 -19.83 62.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.568 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' HA2' HG12 ' A' ' 44' ' ' VAL . . . 128.54 -27.6 4.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 64.4 112.852 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -63.58 131.45 48.09 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.701 0.286 . . . . 74.3 110.824 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.508 ' HB ' HG12 ' A' ' 40' ' ' VAL . 36.2 t -103.36 132.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.263 -0.643 . . . . 61.55 109.263 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 p -130.64 152.78 49.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 50.11 110.759 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.51 -167.46 39.4 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.951 -0.568 . . . . 53.55 111.828 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 45.9 t -140.11 138.06 37.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 110.104 -0.332 . . . . 74.14 110.104 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 62' ' ' LEU . 75.0 t -116.44 137.82 48.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 O-C-N 123.703 0.627 . . . . 63.53 109.88 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.605 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.9 pt20 -142.55 127.34 18.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 75.34 109.942 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.99 -143.68 8.21 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.353 -0.699 . . . . 73.2 111.353 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.14 129.77 8.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.641 2.227 . . . . 73.32 111.296 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.46 -35.14 5.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.054 0.761 . . . . 71.14 113.054 -176.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 5.4 pt-20 -70.63 -44.2 67.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 53.44 111.394 -178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.412 ' HB3' HD21 ' A' ' 62' ' ' LEU . 2.2 mp0 -70.8 -34.3 71.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 73.41 110.39 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 89' ' ' VAL . 85.1 t -59.35 -45.75 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 109.192 -0.67 . . . . 73.43 109.192 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.46 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 8.6 t70 -55.0 -49.76 70.7 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.517 -0.765 . . . . 72.04 109.966 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.14 -39.0 66.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.526 -0.761 . . . . 62.15 111.036 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -70.53 -34.3 72.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 72.11 110.122 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.3 t -61.06 -43.66 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 121.245 0.545 . . . . 71.34 109.763 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.97 -38.79 92.54 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.68 -0.691 . . . . 73.32 110.283 177.327 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -59.78 -44.42 93.9 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.155 0.502 . . . . 71.31 109.735 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.521 HD12 ' HB ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -62.47 -35.61 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.557 -0.747 . . . . 60.14 110.663 178.227 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -73.0 -21.71 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 73.34 110.792 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 34.2 mmtp -83.12 -33.68 26.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.804 0.335 . . . . 75.41 110.118 175.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.13 -132.1 20.99 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.927 -0.579 . . . . 31.54 112.199 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.7 p -160.79 148.74 12.7 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 109.986 -0.376 . . . . 75.45 109.986 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.13 -55.78 0.88 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 124.519 3.479 . . . . 63.34 114.831 -173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 45' ' ' GLN . 8.3 mtpm? -99.49 15.25 27.08 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.874 0.324 . . . . 75.23 111.874 -172.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -124.68 92.99 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.102 -0.703 . . . . 65.2 109.102 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.8 91.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 121.54 0.686 . . . . 74.34 110.591 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.459 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 27.0 m -69.09 143.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.873 -1.058 . . . . 73.33 111.0 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.39 -56.83 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 64.2 110.512 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -147.22 128.45 14.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.274 -0.421 . . . . 72.44 110.809 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.591 HG22 HG23 ' A' ' 40' ' ' VAL . 34.9 t -98.25 147.83 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.529 -0.545 . . . . 63.52 109.529 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -137.94 126.43 23.44 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 74.04 109.889 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 mm -112.65 152.21 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.757 -0.46 . . . . 72.12 109.757 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 33.4 t-80 -133.17 149.06 52.07 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.974 0.416 . . . . 63.51 110.918 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.43 6.08 1.53 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.066 1.506 . . . . 71.54 115.066 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -59.44 139.18 57.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.18 0.514 . . . . 75.32 112.367 -166.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.5 p -75.09 178.57 5.58 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.881 -1.054 . . . . 61.2 111.983 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 7.3 tmm_? -56.9 143.32 38.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.099 -0.501 . . . . 70.34 111.081 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.442 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 27.5 m -135.4 176.28 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 51.15 110.988 -171.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.55 122.09 28.09 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.488 -0.56 . . . . 74.32 109.488 171.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.7 127.09 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 61.52 110.952 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.589 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 21.3 t70 -101.62 -49.62 3.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.017 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.37 144.14 4.14 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.904 -0.589 . . . . 52.42 112.696 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.48 112.03 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.133 -0.692 . . . . 64.33 109.133 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.737 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 10.8 pt-20 -162.68 133.52 4.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.187 0.518 . . . . 71.34 111.064 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.639 HG23 ' HB2' ' A' ' 68' ' ' ASN . 42.5 mm -72.35 86.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.555 0.693 . . . . 71.13 110.839 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.524 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.1 mtt180 -84.43 141.1 31.06 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.082 -0.963 . . . . 61.44 110.363 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.472 -0.785 . . . . 75.33 109.854 -179.458 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 1' ' ' MET . 26.8 ttt . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.115 0.483 . . . . 72.33 110.297 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.02 1.99 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.829 0.347 . . . . 63.04 111.475 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -129.26 88.24 2.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.411 -0.589 . . . . 73.32 109.411 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -53.08 115.43 1.87 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.015 0.436 . . . . 74.33 109.912 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -138.48 141.79 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.12 110.206 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -100.7 143.5 30.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 74.41 110.766 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -130.68 123.64 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 74.24 109.88 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -96.83 151.5 19.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.268 0.556 . . . . 71.51 111.788 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 59.2 mtt -140.5 132.03 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.201 -1.037 . . . . 63.23 108.201 169.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.56 174.26 31.46 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.493 -0.861 . . . . 74.43 113.045 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.5 p -78.65 126.27 30.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.397 0.279 . . . . 73.24 110.688 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.1 mp -77.97 -11.36 59.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.917 0.389 . . . . 73.43 110.412 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -89.57 162.19 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 62.32 111.273 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.55 136.5 24.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.668 -0.696 . . . . 75.13 109.711 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.29 160.58 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 73.33 110.849 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.1 m -67.1 112.78 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.181 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -89.3 177.17 6.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 71.34 110.407 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.19 176.58 54.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.293 -0.48 . . . . 71.43 112.715 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.97 -21.22 32.82 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.703 2.269 . . . . 74.15 112.443 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 -126.3 7.54 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.116 -0.564 . . . . 74.25 112.179 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -162.74 -172.5 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.81 0.338 . . . . 73.15 110.239 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -125.79 153.05 44.6 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 122.907 0.483 . . . . 73.31 109.76 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -71.73 117.33 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.748 -0.205 . . . . 74.11 110.494 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 173.3 50.5 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.293 -0.479 . . . . 71.41 112.309 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.5 t -135.27 175.98 9.09 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.914 -0.402 . . . . 60.0 109.914 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.427 ' HG3' ' HD2' ' A' ' 27' ' ' PRO . 25.6 ttt -153.55 135.25 8.86 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.567 -0.288 . . . . 62.34 110.702 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' HG3' ' A' ' 26' ' ' MET . 84.6 Cg_endo -75.75 148.45 32.47 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.267 2.645 . . . . 74.34 112.413 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -87.3 108.68 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 70.24 110.386 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 p -100.46 98.91 9.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.058 -0.349 . . . . 73.11 110.058 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 p -79.15 73.63 5.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.727 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.62 113.23 8.44 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.558 -0.746 . . . . 62.5 109.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD2' HG23 ' A' ' 33' ' ' VAL . 5.6 p-10 -69.85 -31.88 69.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.462 -0.335 . . . . 74.21 110.923 -173.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.401 HG23 ' OD2' ' A' ' 32' ' ' ASP . 47.6 t -113.65 97.56 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 107.843 -1.169 . . . . 64.33 107.843 168.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -76.16 111.62 11.77 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.622 -0.717 . . . . 71.11 110.295 -167.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.541 HG23 ' HG2' ' A' ' 79' ' ' GLN . 58.7 m -114.82 133.63 55.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.02 -0.991 . . . . 74.11 109.872 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -139.32 132.19 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 70.33 109.517 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 42.1 t -88.02 133.81 33.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.431 -0.581 . . . . 71.23 109.431 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.44 148.76 32.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.998 0.427 . . . . 74.21 110.925 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -151.62 113.76 4.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.203 -0.908 . . . . 74.33 109.09 171.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.56 136.08 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.421 -0.585 . . . . 72.44 109.421 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 73' ' ' SER . 18.9 p -102.52 150.82 23.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.45 -0.574 . . . . 74.2 109.45 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 45' ' ' GLN . . . -107.59 155.93 16.09 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.014 -0.612 . . . . 41.4 111.839 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.6 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 23.5 tptm -64.3 -50.43 67.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.289 -0.634 . . . . 54.14 109.289 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.04 87.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.448 -0.796 . . . . 73.31 109.324 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HA3' ' A' ' 42' ' ' GLY . 46.6 mt-30 67.93 178.51 0.24 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.881 -0.6 . . . . 75.34 111.104 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.26 63.3 0.36 Allowed Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.021 -0.609 . . . . 52.52 112.542 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 m -81.28 80.42 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.602 0.715 . . . . 73.2 110.183 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HB2' HG21 ' A' ' 74' ' ' VAL . 17.7 t80 -92.39 134.88 34.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.508 -0.769 . . . . 63.04 110.835 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.7 84.32 0.07 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.905 0.859 . . . . 70.11 112.567 -178.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.481 ' HB3' HG12 ' A' ' 119' ' ' ILE . 11.4 ptp85 -52.21 -39.54 60.34 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 114.29 -1.323 . . . . 70.43 112.026 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 31.6 mmtp -61.44 -57.86 10.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.039 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -30.42 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 73.2 110.516 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 m -57.85 -51.27 70.28 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.515 0.674 . . . . 73.23 110.091 172.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -65.23 -33.26 75.57 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.232 -0.895 . . . . 52.34 110.386 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.11 -48.35 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 65.33 110.483 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -56.66 -53.73 54.31 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 121.39 0.614 . . . . 63.1 109.613 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -56.92 -47.85 79.63 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.19 -0.914 . . . . 74.43 111.283 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -66.44 -32.92 74.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.424 -0.353 . . . . 61.14 111.066 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.47 -47.34 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.144 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -99.68 4.67 45.68 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.228 0.455 . . . . 74.52 112.228 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t 68.16 38.81 2.53 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.086 0.555 . . . . 74.53 111.571 171.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.83 133.73 35.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.029 -0.73 . . . . 73.12 109.029 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 79' ' ' GLN . 32.6 m -109.27 166.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.539 -0.541 . . . . 63.31 109.539 175.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.93 -139.35 8.65 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.934 -0.867 . . . . 63.55 110.934 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.33 157.89 11.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.776 0.288 . . . . 74.34 110.679 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.78 143.87 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.535 -0.302 . . . . 72.34 110.273 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.498 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.2 t -151.69 161.76 42.14 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.128 0.893 . . . . 62.0 110.308 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.506 ' HB2' HG23 ' A' ' 119' ' ' ILE . 23.0 t-20 -96.37 156.2 16.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.891 -0.411 . . . . 73.4 109.891 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -125.46 160.38 29.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.383 -0.371 . . . . 74.0 110.515 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.15 -12.13 47.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.976 -0.556 . . . . 73.5 111.039 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HB2' ' OG ' ' A' ' 73' ' ' SER . 3.0 m-20 -65.22 -15.63 62.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.347 174.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.99 19.53 61.0 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.226 -1.15 . . . . 64.4 110.226 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.634 ' HB3' HG22 ' A' ' 41' ' ' THR . 46.9 p -115.15 166.47 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.058 -0.571 . . . . 74.3 110.479 -176.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 48' ' ' PHE . 97.7 t -117.01 115.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.168 -0.679 . . . . 61.55 109.168 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -120.32 148.53 43.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.199 -0.455 . . . . 50.11 110.44 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.94 23.42 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.314 -0.714 . . . . 53.55 111.314 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -140.08 136.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.398 . . . . 74.14 109.927 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -112.13 141.6 27.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 108.97 -0.752 . . . . 63.53 108.97 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.1 mt-30 -141.02 125.89 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.687 -0.486 . . . . 75.34 109.687 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.68 -164.87 36.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 120.9 -0.667 . . . . 73.2 111.967 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 28.6 Cg_endo -63.64 135.66 50.1 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.62 2.213 . . . . 73.32 111.548 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -29.89 43.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.43 -0.35 . . . . 71.14 111.907 -172.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.03 -50.48 55.16 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.451 -0.341 . . . . 53.44 111.062 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -67.27 -31.29 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 73.41 110.254 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.07 -39.72 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.935 0.398 . . . . 73.43 110.016 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 89' ' ' VAL . 17.8 t70 -62.55 -36.97 84.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 72.04 109.629 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.58 ' O ' ' HE3' ' A' ' 90' ' ' LYS . . . -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.778 -0.646 . . . . 62.15 110.448 174.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.426 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.3 t80 -65.68 -47.11 76.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.387 -0.369 . . . . 72.11 110.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 86' ' ' ASP . 8.2 p -64.73 -34.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.407 -0.361 . . . . 71.34 110.289 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -53.38 -49.12 67.88 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 172.015 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.32 -43.94 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 71.31 110.925 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.8 95.16 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.335 -177.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -66.6 -8.7 28.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.105 -0.498 . . . . 73.34 111.924 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.38 -32.54 24.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 75.41 109.94 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.09 179.36 21.31 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.658 -0.701 . . . . 31.54 113.012 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.486 ' OG ' ' HB2' ' A' ' 99' ' ' SER . 3.8 p -75.28 141.08 73.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 122.282 0.233 . . . . 75.45 110.517 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 31.2 Cg_exo -59.56 -55.85 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.937 2.425 . . . . 63.34 113.364 -173.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -94.93 -17.85 21.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.544 -0.298 . . . . 75.23 111.768 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.486 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 10.4 m -100.23 127.48 46.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.456 -0.338 . . . . 65.2 110.396 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.49 136.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.385 0.612 . . . . 74.34 110.687 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.65 149.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.723 -1.126 . . . . 73.33 109.965 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.6 ' HE3' ' HA ' ' A' ' 43' ' ' LYS . 5.8 tppp? -93.4 -54.71 3.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 64.2 110.352 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -162.06 144.83 11.61 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.283 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -113.61 135.52 52.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.53 -0.544 . . . . 63.52 109.53 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.6 m -137.61 140.65 41.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 74.04 110.337 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.2 mm -121.77 161.98 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 72.12 109.599 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 57.7 t-80 -142.29 147.92 37.19 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 63.51 110.652 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.69 1.16 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.199 1.185 . . . . 71.54 114.199 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 m -59.23 130.09 45.27 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.156 0.435 . . . . 75.32 111.846 -168.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 112' ' ' VAL . 23.1 t -78.2 178.66 7.42 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.379 -0.828 . . . . 61.2 111.785 -174.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HG3' HE21 ' A' ' 79' ' ' GLN . 51.8 ttp180 -47.13 130.72 12.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.867 0.867 . . . . 70.34 112.449 -172.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 110' ' ' SER . 30.5 m -129.07 176.33 8.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.286 -0.87 . . . . 51.15 110.105 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.97 114.45 13.46 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 110.067 -0.346 . . . . 74.32 110.067 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.22 169.7 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.981 -0.554 . . . . 61.52 110.528 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.94 -44.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.069 -0.252 . . . . 74.33 111.002 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.85 154.97 8.2 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.075 -1.06 . . . . 52.42 113.634 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -97.59 112.19 24.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.173 -0.677 . . . . 64.33 109.173 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.2 pt-20 -162.08 137.75 7.49 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.05 0.452 . . . . 71.34 110.716 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 68' ' ' ASN . 23.5 mm -69.41 86.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.529 0.68 . . . . 71.13 110.183 -176.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.501 ' HG3' ' HG3' ' A' ' 118' ' ' GLU . 59.1 mtt180 -85.66 138.23 32.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.88 -1.054 . . . . 61.44 110.952 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.445 -0.788 . . . . 75.33 109.5 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.913 0.387 . . . . 72.33 110.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.02 128.13 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 63.04 110.936 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -80.96 101.99 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.127 -0.694 . . . . 73.32 109.127 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -56.93 144.59 33.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.0 -0.545 . . . . 74.33 112.232 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -161.69 179.07 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.272 -0.876 . . . . 72.12 109.076 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -64.82 143.35 58.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 74.41 111.255 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -144.1 103.77 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 74.24 109.911 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -133.37 132.46 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 71.51 109.994 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -144.59 163.81 32.81 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.33 -0.395 . . . . 63.23 110.812 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.01 132.68 10.53 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.368 -0.693 . . . . 74.43 111.368 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 12' ' ' LEU . 23.1 m -93.65 161.76 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 73.24 110.267 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' N ' HG22 ' A' ' 11' ' ' THR . 7.3 tt -147.15 132.29 18.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.356 -0.609 . . . . 73.43 109.356 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' N ' HD23 ' A' ' 12' ' ' LEU . 11.7 pt-20 -131.25 138.95 49.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 62.32 110.737 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 75.13 109.542 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -140.74 154.61 46.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 73.33 110.932 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -162.57 -176.11 4.84 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.059 -0.519 . . . . 72.31 109.953 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -127.26 175.99 7.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.829 0.347 . . . . 71.34 110.399 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.54 166.61 18.21 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.69 -0.686 . . . . 71.43 111.417 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -92.46 -154.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.077 2.518 . . . . 74.15 112.42 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.86 -170.93 19.75 Favored Glycine 0 CA--C 1.518 0.248 0 N-CA-C 111.608 -0.597 . . . . 74.25 111.608 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 m -147.51 177.4 9.28 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.853 0.326 . . . . 73.15 110.567 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 ptp -147.12 166.03 28.17 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.792 -0.447 . . . . 73.31 109.792 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 24' ' ' GLY . 22.0 tt0 -128.45 159.62 34.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.744 -0.207 . . . . 74.11 110.5 -176.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' N ' ' HG2' ' A' ' 23' ' ' GLN . . . -112.7 -168.7 17.51 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 111.947 -0.461 . . . . 71.41 111.947 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.2 m -152.9 147.88 26.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.725 0.262 . . . . 60.0 110.354 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 86.3 mtp -118.49 129.47 25.36 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.353 -0.385 . . . . 62.34 110.676 -176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 24.1 Cg_exo -64.25 168.02 13.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.898 2.398 . . . . 74.34 112.255 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -94.78 164.53 12.9 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.504 -0.316 . . . . 70.24 110.754 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -89.55 139.57 30.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.741 0.305 . . . . 73.11 110.826 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 m -96.34 -30.92 13.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 75.4 110.924 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -81.08 90.43 6.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.065 0.459 . . . . 62.5 110.24 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -110.39 -31.45 7.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.413 0.625 . . . . 74.21 110.1 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.25 146.8 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.53 -0.759 . . . . 64.33 110.385 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -137.87 145.17 41.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 71.11 109.442 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -139.81 131.31 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 74.11 109.774 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.55 134.61 37.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.71 -0.478 . . . . 70.33 109.71 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.2 t -93.72 132.32 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.385 -0.598 . . . . 71.23 109.385 176.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.457 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 11.6 m-85 -111.85 150.89 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.201 0.524 . . . . 74.21 111.321 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -154.53 110.42 3.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.226 -0.897 . . . . 74.33 109.138 170.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.22 143.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.267 -0.642 . . . . 72.44 109.267 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.6 p -102.44 125.54 49.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.243 -0.435 . . . . 74.2 111.397 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.62 140.1 18.55 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.833 -0.907 . . . . 41.4 110.833 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -57.15 -56.52 20.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.116 0.484 . . . . 54.14 110.154 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 m -122.7 85.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.732 -0.667 . . . . 73.31 109.751 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.747 ' HA ' ' HA3' ' A' ' 72' ' ' GLY . 13.8 pt20 39.21 50.53 1.91 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.573 -0.739 . . . . 75.34 111.227 -175.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.16 144.29 49.25 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 114.914 -1.039 . . . . 52.52 113.44 -173.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -92.94 -174.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.782 -0.451 . . . . 73.2 109.782 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HB2' HG21 ' A' ' 74' ' ' VAL . 3.2 t80 -134.3 132.34 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.995 -0.372 . . . . 63.04 109.995 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -63.83 93.1 0.08 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.454 0.645 . . . . 70.11 112.508 -177.549 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.79 -39.0 57.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.209 -0.905 . . . . 70.43 111.342 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -52.08 -61.1 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.582 -0.735 . . . . 63.52 110.97 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -70.39 -29.44 66.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.469 -0.787 . . . . 73.2 111.196 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -62.22 -53.35 56.45 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 120.973 0.416 . . . . 73.23 110.2 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -64.31 -45.69 86.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.681 -0.69 . . . . 52.34 109.833 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -57.6 -52.2 66.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.434 -0.348 . . . . 65.33 111.03 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.77 -54.94 31.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.704 -0.68 . . . . 63.1 110.574 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -59.75 -42.2 92.66 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.059 -0.518 . . . . 74.43 110.959 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.1 -39.57 93.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 61.14 111.006 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.82 -50.03 46.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 73.43 111.169 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.3 -6.0 59.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.603 -0.271 . . . . 74.52 111.442 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m 67.68 51.41 0.82 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.241 0.543 . . . . 74.53 111.756 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -89.16 144.26 26.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.041 -0.527 . . . . 73.12 109.843 174.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.8 m -119.09 155.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.901 -0.407 . . . . 63.31 109.901 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.81 -133.86 4.72 Favored Glycine 0 C--O 1.236 0.23 0 N-CA-C 111.462 -0.655 . . . . 63.55 111.462 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.0 156.46 10.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.012 0.406 . . . . 74.34 111.036 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 28.2 t -138.65 149.74 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.781 -0.451 . . . . 72.34 109.781 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.9 t -158.55 161.82 37.34 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.179 0.924 . . . . 62.0 109.819 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.693 ' HB2' HG23 ' A' ' 119' ' ' ILE . 26.9 t-20 -114.03 136.6 52.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.761 0.315 . . . . 73.4 110.351 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.46 161.63 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 74.0 110.351 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.59 -23.88 63.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.967 0.413 . . . . 73.5 110.559 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.05 -17.85 64.8 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 73.01 111.179 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.747 ' HA3' ' HA ' ' A' ' 45' ' ' GLN . . . 85.31 21.62 54.03 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.098 -0.801 . . . . 64.4 111.098 -172.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -108.47 132.42 53.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.807 -0.442 . . . . 74.3 109.807 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 48' ' ' PHE . 25.4 t -92.63 114.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.957 -0.386 . . . . 61.55 109.957 -178.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -118.18 161.07 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.584 -0.28 . . . . 50.11 110.713 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.21 -168.83 41.73 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.682 -0.567 . . . . 53.55 111.682 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 46.2 t -139.1 139.75 39.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.748 -0.464 . . . . 74.14 109.748 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.0 145.48 27.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.644 -0.502 . . . . 63.53 109.644 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt-30 -138.84 146.03 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.471 -0.566 . . . . 75.34 109.471 -177.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.61 -170.34 29.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 73.2 111.868 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -62.5 149.54 90.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.443 2.096 . . . . 73.32 111.634 177.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.33 -48.19 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 71.14 111.445 -176.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -69.02 -33.95 74.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.521 -0.309 . . . . 53.44 111.588 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.535 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -74.14 -39.58 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 73.41 110.048 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.22 -36.13 74.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.515 -0.55 . . . . 73.43 109.515 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 31.0 t70 -63.87 -40.42 96.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 72.04 109.858 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.06 91.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 62.15 110.341 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 28.8 t80 -65.32 -42.62 92.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.442 -0.799 . . . . 72.11 111.497 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 86' ' ' ASP . 10.0 p -68.51 -39.4 80.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 C-N-CA 120.837 -0.345 . . . . 71.34 110.668 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 86' ' ' ASP . 5.6 mptp? -60.76 -38.4 85.07 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.661 -0.496 . . . . 73.32 109.661 173.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 88' ' ' PHE . 13.6 t80 -59.18 -43.51 92.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.807 -0.633 . . . . 71.31 110.492 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -33.49 76.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.969 -0.559 . . . . 60.14 110.239 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -76.92 -7.83 56.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.957 -0.565 . . . . 73.34 111.615 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.38 -45.05 73.78 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.818 -0.438 . . . . 75.41 109.818 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.75 148.55 5.76 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.725 -0.67 . . . . 31.54 112.02 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 51.1 m -78.64 126.41 82.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.082 -0.34 . . . . 75.45 110.082 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.34 -31.44 93.86 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.637 2.225 . . . . 63.34 112.546 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -95.34 -26.19 16.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.448 -0.342 . . . . 75.23 111.248 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.6 t -110.54 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 65.2 110.124 -175.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.13 129.68 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.892 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.78 149.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.93 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -98.3 -50.37 4.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.092 -0.504 . . . . 64.2 110.326 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 104' ' ' VAL . 22.8 tptm -158.74 138.38 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.527 -0.761 . . . . 72.44 110.158 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.443 ' O ' ' HE2' ' A' ' 103' ' ' LYS . 8.3 p -101.48 129.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.278 -0.638 . . . . 63.52 109.278 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -120.81 134.68 55.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.566 -0.531 . . . . 74.04 109.566 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -121.15 158.38 23.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 88.6 m-70 -139.84 154.54 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 63.51 110.813 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.22 5.99 24.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.753 -1.112 . . . . 71.54 113.559 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.9 m -59.73 134.42 57.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.15 0.5 . . . . 75.32 111.938 -167.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 m -71.77 178.16 3.79 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.003 -0.999 . . . . 61.2 112.164 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -47.0 138.75 6.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.587 -0.733 . . . . 70.34 112.664 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.2 176.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.868 -1.06 . . . . 51.15 109.293 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.49 120.82 28.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.022 -0.362 . . . . 74.32 110.022 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.26 141.13 55.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 61.52 111.152 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -124.14 -45.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 74.33 111.387 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.76 139.3 3.36 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.73 -0.748 . . . . 52.42 113.015 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.418 ' HA ' ' H ' ' A' ' 66' ' ' VAL . 14.8 m-85 -93.15 112.22 24.1 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.529 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 14.7 pt-20 -162.5 142.8 9.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.23 0.538 . . . . 71.34 110.938 175.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.693 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.4 mp -75.4 86.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.929 0.871 . . . . 71.13 108.753 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 44.3 mtt85 -72.39 135.9 45.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.347 -1.297 . . . . 61.44 110.752 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.656 -0.868 . . . . 75.33 108.656 178.531 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.755 0.312 . . . . 72.33 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.33 128.85 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 63.04 110.757 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.28 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.494 0.664 . . . . 73.32 109.486 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -79.69 73.59 6.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.679 -0.691 . . . . 74.33 110.613 -175.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 55.95 31.74 18.49 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.447 -0.797 . . . . 72.12 111.338 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -147.22 159.86 43.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.828 -0.624 . . . . 74.41 110.437 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -164.2 177.66 8.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.519 -0.764 . . . . 74.24 109.354 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -72.04 100.73 2.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 71.51 110.429 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.6 tpt -75.98 82.44 2.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.928 -0.578 . . . . 63.23 109.935 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.5 162.69 13.21 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.734 -0.666 . . . . 74.43 112.21 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -159.69 169.14 24.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.635 0.255 . . . . 73.24 110.577 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -115.92 173.49 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.431 . . . . 73.43 110.417 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.51 156.55 35.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.536 . . . . 62.32 109.881 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.78 138.8 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.182 -0.463 . . . . 75.13 109.86 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.19 94.44 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.406 0.622 . . . . 73.33 109.745 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.5 p -76.62 87.55 3.3 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.102 -0.954 . . . . 72.31 110.406 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -101.91 118.58 37.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.706 -0.679 . . . . 71.34 109.38 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.57 148.1 18.0 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 116.218 -0.446 . . . . 71.43 112.692 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.56 0.21 9.52 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.101 2.534 . . . . 74.15 112.07 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.77 92.53 0.54 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.972 -0.558 . . . . 74.25 111.803 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.5 t -144.76 78.36 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 73.15 109.486 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.2 mmt -90.78 110.77 21.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 73.31 109.907 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -131.22 142.42 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.014 -0.365 . . . . 74.11 110.014 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.47 -164.79 13.48 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.315 -0.469 . . . . 71.41 112.153 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.0 t -174.42 173.32 2.99 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.274 -0.269 . . . . 60.0 110.274 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.463 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 26.0 ptm -119.55 140.2 28.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 62.34 110.195 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 1.5 Cg_endo -85.16 170.01 9.75 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.165 2.576 . . . . 74.34 111.791 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.1 t -120.25 -169.87 1.87 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.255 -0.43 . . . . 70.24 110.014 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -151.38 174.6 13.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.052 -0.722 . . . . 73.11 109.052 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -150.76 168.25 24.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.808 0.337 . . . . 75.4 110.658 -177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -101.48 136.19 41.74 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.773 -0.648 . . . . 62.5 110.598 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.96 -24.62 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.21 109.901 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.29 134.39 27.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.427 -0.806 . . . . 64.33 110.583 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -125.84 155.42 41.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 71.11 109.595 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -147.54 129.2 15.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.596 0.236 . . . . 74.11 111.042 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 78' ' ' VAL . 4.6 mp -147.6 150.62 34.79 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.25 -0.648 . . . . 70.33 109.25 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 70.0 m -92.41 141.65 28.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.721 0.295 . . . . 71.23 110.514 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.443 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.6 m-85 -112.94 139.97 48.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 74.21 110.682 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -150.09 113.17 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 74.33 109.697 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' HD11 ' A' ' 92' ' ' LEU . 7.6 p -113.36 143.49 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.311 -0.626 . . . . 72.44 109.311 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.559 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 27.0 p -107.06 155.17 20.13 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.35 -0.387 . . . . 74.2 110.01 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.29 160.94 13.55 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.335 -0.46 . . . . 41.4 112.234 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.5 -58.18 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.136 -0.69 . . . . 54.14 109.136 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.78 77.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.509 -0.769 . . . . 73.31 109.342 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 45.5 72.02 0.24 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.244 0.545 . . . . 75.34 110.689 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.48 108.57 2.26 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.374 -0.83 . . . . 52.52 113.343 -173.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -71.61 99.47 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.348 0.594 . . . . 73.2 109.698 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.683 ' HB3' HG12 ' A' ' 119' ' ' ILE . 10.8 t80 -75.39 127.17 32.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.087 -0.96 . . . . 63.04 110.042 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -61.14 85.51 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.678 0.622 . . . . 70.11 112.678 -177.326 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.658 ' HA ' HD13 ' A' ' 119' ' ' ILE . 3.2 ptp180 -52.39 -37.92 57.66 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.481 -0.781 . . . . 70.43 112.295 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -58.56 -49.71 76.44 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.712 0.292 . . . . 63.52 110.991 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -68.76 -31.65 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 73.2 110.54 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -60.11 -52.86 63.56 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.912 0.387 . . . . 73.23 110.521 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 49.7 mtpt -64.78 -40.2 94.86 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.896 -0.593 . . . . 52.34 110.2 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -58.77 -52.06 67.31 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.935 -0.575 . . . . 65.33 111.04 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.25 -53.71 48.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.808 -0.633 . . . . 63.1 110.418 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.49 84.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.651 -0.704 . . . . 74.43 110.839 -177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.89 -36.5 78.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 61.14 110.726 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.46 69.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.198 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.05 -4.65 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 74.52 111.217 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.1 t 68.52 40.12 1.99 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.835 0.35 . . . . 74.53 111.754 171.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.82 133.89 34.32 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.55 -0.537 . . . . 73.12 109.55 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -109.49 150.46 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.137 -0.69 . . . . 63.31 109.137 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.37 -135.8 5.25 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.764 -0.934 . . . . 63.55 110.764 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 145.4 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.492 0.646 . . . . 74.34 111.23 179.017 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 5.1 t -139.04 146.61 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 115.964 -0.562 . . . . 72.34 110.05 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.8 t -155.54 161.94 40.78 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 124.054 0.846 . . . . 62.0 109.413 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.835 ' HB2' HG23 ' A' ' 119' ' ' ILE . 55.1 t30 -108.5 163.35 13.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.062 -0.347 . . . . 73.4 110.062 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -130.71 141.9 50.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.989 -0.745 . . . . 74.0 108.989 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -58.92 -15.93 15.24 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.35 0.595 . . . . 73.5 110.371 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.92 -15.03 61.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.157 -0.928 . . . . 73.01 110.694 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.95 28.4 12.09 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.964 -0.562 . . . . 64.4 111.724 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -132.47 130.78 40.94 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.937 0.399 . . . . 74.3 110.902 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.3 t -101.49 117.68 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.094 -0.706 . . . . 61.55 109.094 174.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -127.94 155.51 44.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 50.11 111.621 -172.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.28 -166.34 38.28 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.966 -0.561 . . . . 53.55 112.075 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.533 HG22 ' SG ' ' A' ' 37' ' ' CYS . 48.8 t -133.09 139.69 48.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 122.62 0.368 . . . . 74.14 110.236 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 36' ' ' LEU . 9.9 p -115.07 136.4 51.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 109.675 -0.491 . . . . 63.53 109.675 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt-30 -139.69 140.78 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.395 -0.594 . . . . 75.34 109.395 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.54 -172.06 27.19 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.659 -0.576 . . . . 73.2 111.659 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.2 Cg_endo -56.22 126.92 23.94 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.569 2.18 . . . . 73.32 111.971 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.16 -31.96 2.69 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.883 0.698 . . . . 71.14 112.883 -176.526 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 6.3 pt-20 -70.42 -42.81 71.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.124 0.488 . . . . 53.44 110.994 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.2 mp0 -74.0 -29.76 62.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.894 -0.41 . . . . 73.41 109.894 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.44 -39.35 84.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.24 -0.652 . . . . 73.43 109.24 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.555 ' O ' HG12 ' A' ' 89' ' ' VAL . 23.3 t70 -64.18 -42.75 96.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.426 -0.807 . . . . 72.04 109.822 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.3 67.78 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.294 0.569 . . . . 62.15 110.466 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -69.3 -42.57 75.27 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.509 -0.769 . . . . 72.11 111.123 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 86' ' ' ASP . 8.8 p -66.17 -34.86 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 120.712 -0.395 . . . . 71.34 110.136 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 47.4 mmtm -59.67 -44.58 93.55 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.305 -0.628 . . . . 73.32 109.305 172.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -59.97 -44.73 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 71.31 110.72 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.418 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.91 -39.35 94.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 60.14 110.33 -177.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -61.84 -25.41 67.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.883 -0.598 . . . . 73.34 111.23 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.08 -30.38 70.88 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.122 0.487 . . . . 75.41 110.228 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.21 -168.65 47.69 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.596 -0.729 . . . . 31.54 113.039 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -72.85 148.32 89.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.957 -0.386 . . . . 75.45 109.957 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 34.1 Cg_endo -65.29 -52.1 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.269 1.979 . . . . 63.34 112.739 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.14 14.56 11.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.844 0.354 . . . . 75.23 111.353 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -123.14 145.85 48.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.651 -0.499 . . . . 65.2 109.651 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.76 129.39 39.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.515 -0.311 . . . . 74.34 110.987 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -81.24 149.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.31 175.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 17.9 ttmm -89.07 -55.06 3.83 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 64.2 109.533 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -167.63 143.95 4.16 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.867 -0.606 . . . . 72.44 110.093 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.48 141.59 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.871 -0.418 . . . . 63.52 109.871 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 m -137.79 137.58 38.34 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.943 -0.392 . . . . 74.04 109.943 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.7 mm -123.39 156.42 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.278 -0.638 . . . . 72.12 109.278 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 22.3 t-80 -135.62 145.3 46.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.012 0.434 . . . . 63.51 111.004 -177.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.43 6.16 1.95 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.353 1.242 . . . . 71.54 114.353 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.676 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 56.8 m -59.28 146.34 39.78 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.412 0.625 . . . . 75.32 112.396 -166.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -82.41 178.41 8.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.737 -1.12 . . . . 61.2 112.37 -171.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.93 140.21 31.54 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 70.34 112.381 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.6 176.21 7.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.321 -0.854 . . . . 51.15 109.382 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.7 130.03 34.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.994 -0.373 . . . . 74.32 109.994 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.63 165.48 24.64 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.942 -0.572 . . . . 61.52 111.02 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 29.3 t70 -147.4 -45.66 0.17 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.909 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 145.98 137.98 3.15 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.932 -0.652 . . . . 52.42 113.073 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.5 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 31.0 m-85 -87.15 111.93 21.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.22 -0.659 . . . . 64.33 109.22 174.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.7 pt-20 -163.05 132.18 4.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 71.34 110.206 170.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.6 mp -65.03 87.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.613 0.721 . . . . 71.13 110.233 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.566 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.7 mtt180 -84.39 144.83 28.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.549 -1.205 . . . . 61.44 110.405 175.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.884 -0.598 . . . . 75.33 110.254 178.377 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.9 -0.407 . . . . 72.33 109.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.36 31.97 6.11 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.882 0.327 . . . . 63.04 111.882 -174.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -57.67 93.5 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.035 0.445 . . . . 73.32 111.155 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -119.27 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.144 -0.688 . . . . 74.33 109.144 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -79.92 81.23 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 72.12 109.891 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -58.66 118.55 5.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 74.41 110.949 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -121.03 151.58 39.63 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.4 -0.364 . . . . 74.24 110.35 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -110.61 119.93 40.77 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.533 -0.303 . . . . 71.51 110.405 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.516 ' HE2' ' H ' ' A' ' 10' ' ' GLY . 1.8 tpt -164.09 143.53 7.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 63.23 109.824 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' H ' ' HE2' ' A' ' 9' ' ' MET . . . -148.35 75.81 0.26 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.069 -0.586 . . . . 74.43 112.074 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.4 p -64.83 118.46 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.005 -0.368 . . . . 73.24 110.005 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 tp -73.71 99.76 3.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.38 -0.373 . . . . 73.43 110.529 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.86 172.79 14.59 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.82 -0.627 . . . . 62.32 110.528 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 88.29 0.33 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.367 -0.378 . . . . 75.13 111.841 -175.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -92.19 148.49 22.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.362 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -86.07 180.0 6.86 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.064 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.49 -166.93 2.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.615 -0.266 . . . . 71.34 110.36 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.6 -132.01 1.45 Allowed Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.668 -0.573 . . . . 71.43 111.668 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -90.76 -158.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.25 2.633 . . . . 74.15 111.228 177.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.55 163.7 34.71 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 111.677 -0.569 . . . . 74.25 111.677 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -79.33 76.34 5.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.266 0.555 . . . . 73.15 110.312 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -86.83 71.23 10.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.783 -0.644 . . . . 73.31 110.648 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -175.89 0.47 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.446 -0.797 . . . . 74.11 109.367 174.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.97 55.26 0.14 Allowed Glycine 0 C--N 1.328 0.113 0 C-N-CA 120.99 -0.624 . . . . 71.41 111.834 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -72.33 109.03 5.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.808 0.337 . . . . 60.0 110.457 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.444 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 54.3 mtt -132.63 108.68 13.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 62.34 110.069 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 26' ' ' MET . 18.0 Cg_endo -58.02 113.08 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.965 2.443 . . . . 74.34 112.148 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -89.33 114.88 26.35 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.974 -0.557 . . . . 70.24 110.672 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -58.02 115.2 2.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.875 -0.602 . . . . 73.11 110.572 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -143.19 173.53 11.5 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.093 -0.503 . . . . 75.4 111.105 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.37 138.93 44.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.664 -0.698 . . . . 62.5 111.727 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -70.02 -31.6 69.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.256 0.55 . . . . 74.21 109.855 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -114.85 99.75 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.939 -0.763 . . . . 64.33 108.939 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.3 m -104.1 122.14 44.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.334 -0.848 . . . . 71.11 109.94 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.559 HG23 ' HG2' ' A' ' 79' ' ' GLN . 88.6 m -109.98 123.07 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.895 -0.409 . . . . 74.11 109.895 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.2 mt -137.53 135.8 37.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.639 -0.504 . . . . 70.33 109.639 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 52.5 t -87.53 137.38 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.547 -0.538 . . . . 71.23 109.547 177.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.82 146.56 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.888 0.375 . . . . 74.21 110.003 -177.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -152.05 110.88 3.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 109.475 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -117.54 143.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.767 -0.457 . . . . 72.44 109.767 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 20.2 p -100.14 117.12 33.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.611 0.243 . . . . 74.2 110.546 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.809 ' HA3' ' HA2' ' A' ' 46' ' ' GLY . . . -88.16 103.43 2.93 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.025 -0.83 . . . . 41.4 111.025 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.37 -47.75 56.05 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 122.588 0.355 . . . . 54.14 111.385 -172.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.85 85.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.428 -0.351 . . . . 73.31 110.567 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 59.77 17.89 6.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.845 -0.616 . . . . 75.34 111.756 172.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.809 ' HA2' ' HA3' ' A' ' 42' ' ' GLY . . . 75.69 -74.01 1.6 Allowed Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.868 -0.682 . . . . 52.52 112.598 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 t 49.48 44.96 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.497 0.665 . . . . 73.2 110.352 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.499 ' HD2' HD11 ' A' ' 119' ' ' ILE . 24.5 t80 -78.95 137.79 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 63.04 110.258 -176.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.38 90.52 2.67 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.899 0.703 . . . . 70.11 112.899 -175.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' HB2' HG12 ' A' ' 119' ' ' ILE . 13.7 ttm180 -57.09 -54.34 47.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.485 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.92 -51.29 58.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 63.52 111.301 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -65.54 -40.2 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 73.2 111.156 -175.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -60.53 -47.25 86.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.787 0.327 . . . . 73.23 111.306 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -63.8 -43.45 96.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.189 -0.46 . . . . 52.34 110.267 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.56 -47.13 87.56 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.539 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.57 -56.01 27.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.56 -0.745 . . . . 63.1 110.506 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.56 70.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 74.43 110.51 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.75 -35.52 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 61.14 111.026 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -40.81 66.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.127 -0.488 . . . . 73.43 111.788 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 59.0 mt -101.5 5.26 41.81 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.99 0.367 . . . . 74.52 111.99 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m 68.39 32.6 4.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.047 0.539 . . . . 74.53 112.225 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.72 133.65 35.37 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.5 -0.926 . . . . 73.12 108.5 170.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 79' ' ' GLN . 30.3 m -115.06 163.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.499 -0.556 . . . . 63.31 109.499 176.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 146.04 -141.52 9.73 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.15 -0.78 . . . . 63.55 111.15 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.49 152.67 22.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.914 0.357 . . . . 74.34 110.601 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.6 t -134.76 142.0 41.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 109.507 -0.553 . . . . 72.34 109.507 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 14.9 t -153.44 161.97 41.74 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.913 0.758 . . . . 62.0 110.282 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 3.2 t-20 -119.37 156.44 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.259 -0.645 . . . . 73.4 109.259 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 55.6 m-80 -132.74 167.04 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 74.0 110.821 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -54.99 -26.08 34.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.317 -0.856 . . . . 73.5 112.39 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.91 -12.46 59.51 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.272 -0.422 . . . . 73.01 111.638 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.64 5.92 81.02 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.06 -0.816 . . . . 64.4 111.06 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.403 ' HB3' HG22 ' A' ' 41' ' ' THR . 15.6 p -95.65 135.99 36.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.049 0.452 . . . . 74.3 110.593 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 48' ' ' PHE . 59.2 t -101.11 118.1 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 61.55 109.25 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -117.94 170.78 8.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.343 -0.389 . . . . 50.11 109.994 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.7 -165.19 38.27 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.587 -0.605 . . . . 53.55 111.587 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 60.6 t -140.66 136.15 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.019 0.409 . . . . 74.14 110.269 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.48 135.07 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.285 -0.635 . . . . 63.53 109.285 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' A' ' 35' ' ' THR . 2.0 mt-30 -137.04 127.34 26.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.711 -0.848 . . . . 75.34 108.711 -176.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.02 -163.42 31.39 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.408 -0.901 . . . . 73.2 112.862 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 15.5 Cg_endo -57.0 129.84 36.62 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.101 2.534 . . . . 73.32 112.102 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.58 -35.55 13.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 71.14 112.148 -175.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 7.4 pt-20 -70.35 -43.96 69.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.841 0.312 . . . . 53.44 111.841 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.3 mp0 -72.7 -33.05 66.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.494 0.188 . . . . 73.41 110.636 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 95.5 t -61.71 -45.24 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.996 -0.742 . . . . 73.43 108.996 172.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.61 -46.04 81.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.259 -0.882 . . . . 72.04 109.369 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.78 85.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.089 -0.96 . . . . 62.15 111.014 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -67.41 -35.83 80.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 72.11 109.894 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.0 t -62.77 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.192 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.1 -29.61 69.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.862 -0.608 . . . . 73.32 110.528 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.75 -41.95 64.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.613 -0.721 . . . . 71.31 110.135 173.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -37.87 88.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 60.14 109.544 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.48 -4.66 23.84 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.453 -0.794 . . . . 73.34 111.796 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -73.4 -34.57 65.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.522 -0.547 . . . . 75.41 109.522 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 170.97 46.41 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.6 -0.727 . . . . 31.54 112.721 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 19.9 m -60.0 147.88 78.8 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 122.403 0.281 . . . . 75.45 110.449 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.2 -50.57 13.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.703 2.269 . . . . 63.34 112.966 -173.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -113.33 -2.14 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 75.23 111.492 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.7 t -119.79 141.57 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.985 -0.376 . . . . 65.2 109.985 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.43 137.79 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.449 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 m -91.08 142.29 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.881 0.372 . . . . 73.33 110.136 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 23.6 tptm -91.05 -53.67 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 64.2 110.719 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -147.94 131.65 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.361 -0.381 . . . . 72.44 110.802 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.4 129.09 58.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 109.39 -0.596 . . . . 63.52 109.39 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 m -129.83 124.5 33.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.946 -0.39 . . . . 74.04 109.946 -173.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.9 mm -111.97 148.33 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 44.7 t-80 -132.94 151.75 52.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.208 0.527 . . . . 63.51 110.946 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.39 7.07 0.86 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.789 1.236 . . . . 71.54 114.188 -173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.0 m -59.27 141.48 54.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.251 0.548 . . . . 75.32 112.431 -162.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 m -74.42 174.77 8.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.042 -0.981 . . . . 61.2 112.109 -172.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.96 136.61 51.76 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.343 -0.844 . . . . 70.34 111.48 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 176.06 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.066 -0.516 . . . . 51.15 110.564 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.04 125.44 27.66 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.557 -0.534 . . . . 74.32 109.557 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.415 ' HB1' ' H ' ' A' ' 64' ' ' GLY . . . -97.72 -167.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 61.52 112.131 -174.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 73.12 44.88 0.31 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.024 -0.989 . . . . 74.33 110.953 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.16 37.21 1.96 Allowed Glycine 0 CA--C 1.508 -0.382 0 CA-C-N 115.574 -0.739 . . . . 52.42 112.771 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -72.94 112.4 8.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.071 -0.565 . . . . 64.33 110.762 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.5 169.38 20.42 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.768 0.318 . . . . 71.34 110.179 173.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.541 HG12 ' HB2' ' A' ' 50' ' ' ARG . 40.7 mm -103.55 85.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.014 -1.106 . . . . 71.13 108.014 167.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.533 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 28.1 ttt180 -80.69 111.89 17.55 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.219 -1.355 . . . . 61.44 110.748 -174.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.323 -0.846 . . . . 75.33 109.379 176.112 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.864 -0.421 . . . . 72.33 109.864 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.09 18.5 1.04 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.865 0.364 . . . . 63.04 111.66 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -126.96 105.97 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 73.32 109.753 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -75.73 76.44 2.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.258 0.551 . . . . 74.33 110.224 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -87.57 106.54 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.477 -0.783 . . . . 72.12 110.209 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -84.71 146.89 27.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 74.41 109.725 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -80.73 58.24 3.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.106 0.479 . . . . 74.24 110.234 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -85.55 71.14 10.79 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.81 0.814 . . . . 71.51 110.128 178.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.5 tpt -175.69 103.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.537 -1.21 . . . . 63.23 108.667 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.59 -168.6 13.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.181 -0.533 . . . . 74.43 112.248 -175.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -80.93 155.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.841 0.353 . . . . 73.24 110.555 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 13' ' ' GLU . 2.2 pp -70.65 -11.77 61.14 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.987 -0.551 . . . . 73.43 112.477 -175.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.8 pt-20 -92.82 100.39 12.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.035 0.445 . . . . 62.32 111.178 -176.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.4 81.83 7.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 75.13 110.4 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -99.74 164.11 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 73.33 110.777 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m 68.93 -4.22 1.28 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.933 -0.576 . . . . 72.31 112.402 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -64.49 139.06 58.73 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.783 0.325 . . . . 71.34 110.879 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.18 161.8 19.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.223 -0.513 . . . . 71.43 112.068 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -95.42 -166.62 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.734 2.956 . . . . 74.15 112.022 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.72 -72.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.331 -0.707 . . . . 74.25 111.331 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -71.33 88.04 0.86 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.123 0.487 . . . . 73.15 109.901 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.3 mtp -73.69 82.12 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.48 -176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.54 66.41 9.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.454 0.645 . . . . 74.11 110.387 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.72 -137.32 3.24 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.806 -0.633 . . . . 71.41 112.373 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -142.73 157.44 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.242 -0.281 . . . . 60.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.4 mtm -85.08 155.1 60.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 62.34 109.891 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.65 -179.48 3.34 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 122.449 2.099 . . . . 74.34 112.266 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -52.9 139.73 26.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.146 -0.479 . . . . 70.24 110.792 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.9 m -56.6 94.28 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.327 0.584 . . . . 73.11 110.97 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -112.17 -3.13 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.552 -0.749 . . . . 75.4 110.734 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.8 61.51 1.5 Allowed 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.134 -0.691 . . . . 62.5 109.134 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.98 -31.74 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 74.21 110.279 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t -98.77 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.656 0.741 . . . . 64.33 109.479 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -81.55 134.09 35.46 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.937 -1.029 . . . . 71.11 110.113 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.413 HG23 ' HG2' ' A' ' 79' ' ' GLN . 87.3 m -125.55 130.15 51.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 74.11 110.246 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.6 mt -142.3 137.05 30.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 70.33 109.277 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.9 t -86.14 136.36 33.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.794 -0.447 . . . . 71.23 109.794 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -111.54 139.34 47.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.099 0.476 . . . . 74.21 110.644 -176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -151.5 111.03 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.473 -0.785 . . . . 74.33 109.567 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.73 139.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.984 -0.747 . . . . 72.44 108.984 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 p -91.33 128.26 37.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.782 -0.644 . . . . 74.2 110.646 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.1 122.28 7.51 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 116.034 -0.53 . . . . 41.4 111.846 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -64.06 -44.11 93.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.22 -1.03 . . . . 54.14 108.22 174.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 45' ' ' GLN . 11.6 p -122.91 178.12 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.469 -1.241 . . . . 73.31 107.972 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.557 ' H ' HG22 ' A' ' 44' ' ' VAL . 85.0 mm-40 -54.58 90.72 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.544 -0.539 . . . . 75.34 109.544 172.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.26 107.86 1.4 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.584 -0.734 . . . . 52.52 113.094 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 t -77.26 72.86 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.909 -0.774 . . . . 73.2 108.909 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.506 ' HD2' HD11 ' A' ' 119' ' ' ILE . 19.0 t80 -72.33 132.66 44.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.964 -1.017 . . . . 63.04 109.371 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 82.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.271 0.471 . . . . 70.11 112.271 -175.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HG3' ' HA ' ' A' ' 118' ' ' GLU . 19.8 ttm180 -52.49 -45.32 66.14 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.884 -0.598 . . . . 70.43 110.772 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.41 -46.39 83.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.528 -0.76 . . . . 63.52 111.074 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 73.2 110.546 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 m -61.71 -37.43 84.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.158 0.504 . . . . 73.23 110.261 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -46.9 78.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.598 -0.728 . . . . 52.34 109.858 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.38 -52.25 66.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.828 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -57.41 11.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.555 -0.748 . . . . 63.1 110.278 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.373 -0.83 . . . . 74.43 111.242 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.78 -45.78 92.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.831 0.348 . . . . 61.14 110.804 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.61 -45.88 70.76 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.006 -0.543 . . . . 73.43 111.505 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 75.0 mt -79.41 -9.75 59.66 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.039 0.447 . . . . 74.52 110.683 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 68.19 42.03 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.309 -0.86 . . . . 74.53 111.932 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.78 133.46 35.64 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.685 -1.228 . . . . 73.12 107.685 165.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -114.98 172.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.121 -0.326 . . . . 63.31 110.121 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.69 -135.1 8.09 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.467 -1.053 . . . . 63.55 110.467 -175.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.461 ' HB2' ' H ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.23 152.19 7.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.315 0.558 . . . . 74.34 111.192 178.329 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.5 t -138.87 143.13 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.291 -0.413 . . . . 72.34 110.23 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 11.1 t -151.31 162.21 41.32 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.169 0.918 . . . . 62.0 110.293 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -105.46 123.77 48.44 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.602 -0.518 . . . . 73.4 109.602 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.492 ' N ' HD22 ' A' ' 68' ' ' ASN . 21.1 m120 -76.72 150.04 36.31 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.983 -0.377 . . . . 74.0 109.983 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.16 -28.37 64.67 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.453 0.471 . . . . 73.5 112.052 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.11 -19.67 61.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.662 0.268 . . . . 73.01 110.664 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.26 -33.6 3.61 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 121.12 -0.562 . . . . 64.4 112.837 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -64.91 145.32 56.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.732 0.301 . . . . 74.3 111.695 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.67 138.46 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.936 -0.764 . . . . 61.55 108.936 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -143.36 166.64 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 50.11 111.144 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.03 -166.15 38.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.497 -0.641 . . . . 53.55 111.497 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -137.18 141.59 39.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.958 0.379 . . . . 74.14 110.017 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -118.29 143.34 29.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 123.622 0.576 . . . . 63.53 110.0 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 35' ' ' THR . 1.2 mt-30 -143.07 140.91 31.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.154 -0.684 . . . . 75.34 109.154 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.1 30.1 Favored Glycine 0 CA--C 1.516 0.103 0 C-N-CA 120.656 -0.783 . . . . 73.2 112.627 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.7 Cg_endo -56.53 138.59 85.05 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.032 2.488 . . . . 73.32 111.413 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HD2' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -68.19 -23.83 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 71.14 110.76 -169.581 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 82' ' ' LYS . 1.9 pm0 -70.23 -40.58 74.39 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.289 0.566 . . . . 53.44 110.354 176.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.552 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -73.88 -32.15 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.657 -0.702 . . . . 73.41 110.285 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 81' ' ' PRO . 95.9 t -66.03 -39.75 85.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.717 -0.475 . . . . 73.43 109.717 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.21 -40.73 97.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.919 -0.582 . . . . 72.04 109.556 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.49 95.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.575 -0.739 . . . . 62.15 110.578 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 13.3 t80 -69.74 -47.11 64.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 72.11 110.517 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.33 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 71.34 110.398 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.57 -47.58 84.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 73.32 109.672 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.46 -41.85 86.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.047 -0.979 . . . . 71.31 110.8 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -34.28 76.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 60.14 110.271 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -61.04 -20.67 62.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.416 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -60.41 -42.73 96.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.012 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.23 -148.8 19.51 Favored Glycine 0 C--O 1.229 -0.197 0 CA-C-N 116.059 -0.519 . . . . 31.54 111.927 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 49.2 m -134.35 136.21 25.42 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 117.007 0.404 . . . . 75.45 110.729 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 2.9 Cg_exo -76.79 -36.06 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.646 2.23 . . . . 63.34 112.764 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -87.19 -16.57 34.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 75.23 111.641 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.6 m -137.72 147.94 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.694 0.283 . . . . 65.2 110.896 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.87 113.24 25.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.076 -0.511 . . . . 74.34 110.923 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -85.55 139.27 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.324 -0.621 . . . . 73.33 109.324 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.664 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -88.58 -45.88 9.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.532 -0.304 . . . . 64.2 110.843 -178.233 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -167.66 138.85 2.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.74 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.57 140.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.492 -0.558 . . . . 63.52 109.492 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.8 m -138.1 134.78 35.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 110.115 -0.328 . . . . 74.04 110.115 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mm -120.37 149.01 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.284 -0.636 . . . . 72.12 109.284 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 29.2 m170 -129.42 154.12 47.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.038 0.447 . . . . 63.51 110.798 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.79 6.08 2.19 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.558 1.143 . . . . 71.54 113.994 -171.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 m -59.76 130.29 46.08 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.415 0.626 . . . . 75.32 111.738 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 p -82.39 178.43 8.24 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.974 -1.012 . . . . 61.2 112.303 -171.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -42.89 125.52 3.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.835 -1.075 . . . . 70.34 112.978 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.68 176.25 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.633 -0.712 . . . . 51.15 110.23 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.91 133.04 33.97 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.503 -0.555 . . . . 74.32 109.503 173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.61 146.57 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.063 0.394 . . . . 61.52 112.063 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 10.4 m-20 -120.24 -53.54 2.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.023 -0.535 . . . . 74.33 110.429 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.461 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.36 149.57 5.1 Favored Glycine 0 C--O 1.238 0.355 0 C-N-CA 121.176 -0.535 . . . . 52.42 112.528 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -92.66 112.52 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.808 -0.441 . . . . 64.33 109.808 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.45 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 13.9 pt-20 -158.93 126.59 4.97 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.744 0.307 . . . . 71.34 110.343 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.506 HD11 ' HD2' ' A' ' 48' ' ' PHE . 38.3 mm -66.95 85.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 71.13 109.187 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.473 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 33.6 ttt180 -89.86 124.89 35.08 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.734 -1.121 . . . . 61.44 110.274 -175.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.697 -0.668 . . . . 75.33 109.601 177.095 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.97 0.891 . . . . 64.33 110.703 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.4 m -100.01 155.01 17.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.751 -1.113 . . . . 71.11 110.966 -173.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.4 m -148.71 131.83 16.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.509 -0.314 . . . . 74.11 110.504 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -144.1 145.18 31.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.626 -0.509 . . . . 70.33 109.626 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 78.3 m -85.77 138.35 32.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.056 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -111.88 144.25 41.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.628 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -155.2 111.64 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.27 -0.641 . . . . 74.33 109.27 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.437 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.9 p -115.11 145.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.365 -0.379 . . . . 72.44 110.264 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p -103.83 146.67 28.29 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.791 -0.818 . . . . 74.2 108.791 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.102 0 C-N-CA 120.252 -0.975 . . . . 41.4 113.321 -174.258 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' HB3' HG12 ' A' ' 119' ' ' ILE . 4.6 t80 . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 109.915 -0.402 . . . . 63.04 109.915 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.453 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -69.78 96.4 0.98 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.121 0.415 . . . . 70.11 112.121 -177.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.609 ' NH1' ' HB3' ' A' ' 118' ' ' GLU . 9.4 ttt85 -51.81 -28.91 17.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.056 -0.52 . . . . 70.43 110.439 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.16 -68.9 0.13 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.583 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -69.62 -30.65 68.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.506 . . . . 73.2 111.239 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.6 m -63.73 -51.05 66.69 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.924 0.393 . . . . 73.23 110.628 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -70.83 -37.21 73.18 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.737 -0.468 . . . . 52.34 109.737 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' A' ' 55' ' ' LYS . 8.5 mtpm? -57.54 -42.24 82.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.067 -0.346 . . . . 65.33 110.067 175.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.41 -53.47 56.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.907 -0.588 . . . . 63.1 110.054 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -60.12 -42.65 95.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.571 -0.741 . . . . 74.43 111.354 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -67.2 -38.34 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 61.14 110.826 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.64 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 73.43 111.084 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.63 -3.56 58.21 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.101 -0.499 . . . . 74.52 111.46 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t 68.38 42.43 1.63 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.914 0.388 . . . . 74.53 111.51 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.84 144.21 27.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.911 0.386 . . . . 73.12 110.312 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.9 m -120.76 161.94 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 63.31 109.284 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.47 -135.16 5.82 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.392 -0.683 . . . . 63.55 111.392 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.03 147.2 5.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.089 0.444 . . . . 74.34 111.307 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.3 t -138.81 145.29 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.486 -0.324 . . . . 72.34 110.617 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.671 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.7 t -156.77 161.8 39.77 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 62.0 110.422 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.719 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.0 t-20 -94.65 154.4 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.662 -0.866 . . . . 73.4 108.662 173.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -118.18 158.75 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.676 0.274 . . . . 74.0 110.886 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.13 -21.92 66.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.92 -0.582 . . . . 73.5 109.728 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -19.61 66.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.567 -0.742 . . . . 73.01 110.199 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.3 -35.1 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.541 -0.754 . . . . 64.4 111.37 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.8 p -69.44 152.16 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.144 0.497 . . . . 74.3 111.726 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -102.25 119.24 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.102 -0.703 . . . . 61.55 109.102 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -120.95 172.22 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 50.11 110.89 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.73 -164.33 36.29 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.611 -0.596 . . . . 53.55 111.611 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -140.63 136.72 35.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 116.953 0.376 . . . . 74.14 110.039 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.7 t -112.14 136.69 47.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 O-C-N 123.559 0.537 . . . . 63.53 110.183 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.6 mt-30 -135.69 148.96 49.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 75.34 109.365 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.01 -170.61 28.63 Favored Glycine 0 CA--C 1.511 -0.196 0 N-CA-C 111.041 -0.824 . . . . 73.2 111.041 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 9.7 Cg_endo -54.13 142.49 66.36 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 121.99 1.793 . . . . 73.32 111.307 175.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -43.8 -51.99 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.463 -0.789 . . . . 71.14 111.16 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 5.9 pt-20 -70.71 -31.68 68.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 53.44 112.124 -171.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.561 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -73.06 -38.79 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 73.41 110.357 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -57.77 -41.61 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 108.736 -0.838 . . . . 73.43 108.736 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 8.0 t70 -57.75 -46.09 84.98 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.357 -0.838 . . . . 72.04 110.19 173.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.12 75.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.041 0.448 . . . . 62.15 110.519 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -69.49 -42.95 74.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.726 -0.67 . . . . 72.11 110.845 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 86' ' ' ASP . 7.4 p -67.72 -35.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 71.34 110.435 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 31.1 mmtp -64.63 -39.28 93.42 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.45 -0.574 . . . . 73.32 109.45 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -61.47 -42.46 98.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.728 -0.669 . . . . 71.31 109.857 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.437 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.74 -31.49 72.69 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.85 -0.614 . . . . 60.14 110.416 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -64.89 -29.19 70.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.997 0.427 . . . . 73.34 110.624 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.88 -35.97 20.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.966 -0.561 . . . . 75.41 109.779 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.37 -162.92 39.83 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.419 -0.809 . . . . 31.54 111.818 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.522 ' HB3' ' OG ' ' A' ' 99' ' ' SER . 15.4 t -81.78 140.55 47.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.644 -0.873 . . . . 75.45 108.644 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -48.58 -35.57 29.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.257 2.638 . . . . 63.34 113.59 -173.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.76 14.29 25.67 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.064 0.394 . . . . 75.23 112.064 -174.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 96' ' ' SER . 78.0 p -115.07 102.65 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.659 -0.497 . . . . 65.2 109.659 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.41 99.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 74.34 110.184 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.66 131.67 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.852 -0.613 . . . . 73.33 110.896 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -84.23 -57.97 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 64.2 110.401 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -153.7 137.44 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 72.44 109.87 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -100.44 140.52 19.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 109.959 -0.386 . . . . 63.52 109.959 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 m -137.74 121.99 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.92 -0.4 . . . . 74.04 109.92 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.0 mm -113.28 160.47 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.182 -0.673 . . . . 72.12 109.182 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 23.6 t-80 -139.31 144.52 38.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.145 0.498 . . . . 63.51 110.721 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 6.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.599 1.333 . . . . 71.54 114.599 -171.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.661 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.3 130.22 45.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.518 0.675 . . . . 75.32 111.628 -166.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.7 t -69.38 178.51 2.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.401 -1.272 . . . . 61.2 111.759 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -43.21 130.28 4.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.939 -1.028 . . . . 70.34 112.957 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.09 176.3 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.777 -1.102 . . . . 51.15 108.729 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -98.62 121.43 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.26 -0.274 . . . . 74.32 110.26 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.74 151.89 10.43 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.999 -0.546 . . . . 61.52 112.012 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -135.89 -38.21 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.363 -0.381 . . . . 74.33 111.59 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 144.85 142.32 3.84 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.585 -0.817 . . . . 52.42 113.49 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -93.69 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.516 -0.55 . . . . 64.33 109.516 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.609 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 11.5 pt-20 -162.79 120.35 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 71.34 111.088 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.719 HG23 ' HB2' ' A' ' 68' ' ' ASN . 2.1 mp -64.75 86.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.527 0.679 . . . . 71.13 110.017 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.671 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.5 mtt180 -78.31 139.02 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.044 -0.98 . . . . 61.44 110.255 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 115.414 -0.812 . . . . 75.33 109.696 -172.481 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 64.33 110.213 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -118.8 138.79 52.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 71.11 109.614 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -143.45 133.8 24.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.812 -0.44 . . . . 74.11 109.812 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.14 135.33 28.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 70.33 109.531 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 84.8 m -88.19 135.12 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.226 -0.657 . . . . 71.23 109.226 175.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.73 146.77 36.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.076 0.465 . . . . 74.21 111.007 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -153.47 110.77 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.491 -0.929 . . . . 74.33 108.491 169.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 p -120.12 148.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.939 0.399 . . . . 72.44 110.896 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 31.1 p -101.19 148.27 25.29 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.262 0 C-N-CA 120.893 -0.67 . . . . 41.4 112.926 -177.081 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.235 0.32 0 CA-C-O 120.811 0.339 . . . . 63.04 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.48 ' HD2' ' HB3' ' A' ' 96' ' ' SER . 81.0 m-85 -97.84 116.19 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 70.11 109.366 173.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -49.26 -41.1 36.75 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.239 0.615 . . . . 70.43 111.48 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -63.1 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 63.52 110.983 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.11 -38.09 63.93 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.475 -0.33 . . . . 73.2 110.555 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -60.58 -47.07 87.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.158 -0.474 . . . . 73.23 109.916 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? -66.34 -42.82 87.58 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 115.804 -0.634 . . . . 52.34 110.683 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.96 -52.38 58.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.062 0.458 . . . . 65.33 110.509 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -62.27 -52.04 65.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.331 -0.85 . . . . 63.1 110.529 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.95 97.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.542 -0.754 . . . . 74.43 111.43 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.88 -46.32 72.03 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.929 0.395 . . . . 61.14 110.45 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.12 74.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.834 -0.621 . . . . 73.43 111.597 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.72 -11.58 50.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.248 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.7 m 67.84 51.9 0.76 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.353 0.596 . . . . 74.53 111.721 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.74 136.91 32.76 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.672 -0.694 . . . . 73.12 109.355 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 79' ' ' GLN . 22.8 m -111.29 158.78 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.195 -0.668 . . . . 63.31 109.195 175.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.62 -134.25 5.39 Favored Glycine 0 C--O 1.237 0.336 0 N-CA-C 110.852 -0.899 . . . . 63.55 110.852 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 151.34 6.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.087 0.444 . . . . 74.34 111.299 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.9 t -138.88 142.88 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 72.34 110.153 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 15.2 t -154.34 162.01 41.42 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 123.998 0.811 . . . . 62.0 110.436 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' HB2' HG23 ' A' ' 119' ' ' ILE . 12.0 t-20 -98.0 155.09 17.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.901 0.481 . . . . 73.4 111.075 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 13.5 m120 -117.24 161.05 20.11 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.198 -0.456 . . . . 74.0 110.413 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -53.5 -43.27 68.13 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.467 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.37 14.12 0.27 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.68 0.622 . . . . 73.01 112.68 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.11 33.82 61.96 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.281 -0.728 . . . . 64.4 111.281 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 69' ' ' ASN . 14.5 m -109.32 171.64 7.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.429 -0.386 . . . . 74.3 110.15 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.53 114.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.079 -0.711 . . . . 61.55 109.079 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.4 p -111.9 162.68 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 50.11 110.529 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.8 -166.21 38.45 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 53.55 112.502 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.405 HG22 ' SG ' ' A' ' 37' ' ' CYS . 57.9 t -138.16 137.27 44.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.832 -0.432 . . . . 74.14 109.832 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.56 138.58 45.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 109.493 -0.558 . . . . 63.53 109.493 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.9 mt-30 -138.57 134.4 33.78 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.787 -0.449 . . . . 75.34 109.787 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.93 -170.01 35.99 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.241 -0.744 . . . . 73.2 111.241 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.4 Cg_endo -65.51 146.89 86.06 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.143 1.895 . . . . 73.32 111.296 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -46.67 -46.92 20.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 122.951 0.5 . . . . 71.14 111.374 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -43.78 88.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.365 -0.379 . . . . 53.44 111.621 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.488 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.5 mp0 -74.44 -36.18 63.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.586 0.231 . . . . 73.41 110.816 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.05 -34.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.361 -0.607 . . . . 73.43 109.361 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 10.4 t70 -67.08 -39.86 86.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.138 -0.937 . . . . 72.04 109.957 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.27 91.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.229 0.538 . . . . 62.15 110.281 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -66.63 -50.42 63.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.343 -0.844 . . . . 72.11 110.538 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 86' ' ' ASP . 9.8 p -63.04 -35.0 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 71.34 109.989 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -60.27 -45.62 92.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.56 -0.745 . . . . 73.32 109.488 177.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -65.04 -39.4 93.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 71.31 110.275 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -40.11 91.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 60.14 110.389 -177.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.69 -28.78 67.59 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.206 0.526 . . . . 73.34 110.398 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -83.16 -37.54 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.457 -0.792 . . . . 75.41 109.48 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.58 -164.24 51.99 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.197 -1.161 . . . . 31.54 110.197 -169.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.617 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 69.1 m -71.52 135.14 84.02 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.403 -0.962 . . . . 75.45 108.403 171.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.02 -23.24 5.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.27 2.647 . . . . 63.34 114.575 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -117.79 10.2 13.19 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.077 0.399 . . . . 75.23 112.077 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 96' ' ' SER . 7.5 p -140.69 108.86 5.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.099 0.476 . . . . 65.2 110.355 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.3 t -77.48 138.59 20.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.715 -0.675 . . . . 74.34 111.48 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.3 m -91.05 146.21 6.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.559 . . . . 73.33 110.729 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 86.5 tttt -73.39 -53.14 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 64.2 110.333 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -168.16 140.18 2.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.038 -0.528 . . . . 72.44 110.397 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -98.79 148.53 6.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.85 0.357 . . . . 63.52 110.87 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 m -135.33 132.95 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.317 -0.623 . . . . 74.04 109.317 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.8 mm -125.5 153.25 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.655 0.265 . . . . 72.12 110.963 -173.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.6 m170 -132.65 153.99 50.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.802 0.334 . . . . 63.51 110.456 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.54 5.98 22.14 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.849 1.055 . . . . 71.54 113.849 -167.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.723 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.1 m -59.83 137.69 57.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.156 0.503 . . . . 75.32 111.974 -167.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -80.25 178.69 8.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.867 -1.061 . . . . 61.2 111.883 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.83 142.36 11.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.111 -0.949 . . . . 70.34 112.446 -172.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.28 176.29 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.681 -1.145 . . . . 51.15 109.183 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.16 131.65 35.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.629 -0.508 . . . . 74.32 109.629 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.9 153.74 30.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 61.52 111.786 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.39 -50.48 2.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.044 -0.525 . . . . 74.33 110.224 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 146.86 151.62 5.46 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.935 -0.65 . . . . 52.42 113.055 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -93.95 112.32 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.624 -0.51 . . . . 64.33 109.624 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.72 131.17 3.97 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.039 0.447 . . . . 71.34 110.634 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.443 HG23 ' HB2' ' A' ' 68' ' ' ASN . 36.4 mm -68.02 86.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.421 0.629 . . . . 71.13 110.579 -176.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.524 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 77.7 mtt180 -90.31 144.54 25.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.273 -0.876 . . . . 61.44 110.305 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.498 -0.763 . . . . 75.33 109.46 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 C--O 1.235 0.311 0 N-CA-C 108.305 -0.998 . . . . 64.33 108.305 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -76.85 111.12 12.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.452 . . . . 71.11 110.017 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 79' ' ' GLN . 55.8 m -118.1 126.26 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.543 -0.753 . . . . 74.11 110.431 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.06 134.9 28.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.889 -0.782 . . . . 70.33 108.889 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 44.1 m -87.0 138.29 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.008 -0.367 . . . . 71.23 110.008 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -111.79 140.04 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 74.21 110.303 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.8 ttp180 -149.31 114.68 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.246 -0.434 . . . . 74.33 109.894 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' HB ' ' A' ' 74' ' ' VAL . 9.9 p -111.57 142.0 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.021 -0.363 . . . . 72.44 110.021 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -106.67 133.77 50.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.724 -0.472 . . . . 74.2 109.724 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 101' ' ' VAL . . . . . . . . 0 C--O 1.235 0.21 0 C-N-CA 121.162 -0.542 . . . . 41.4 111.772 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' HB2' HG21 ' A' ' 74' ' ' VAL . 4.5 t80 . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 108.774 -0.824 . . . . 63.04 108.774 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -117.17 92.8 3.95 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.249 0.547 . . . . 70.11 111.644 -177.266 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -51.91 -42.26 62.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.088 -0.96 . . . . 70.43 111.279 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 39.1 ttmt -55.49 -54.04 48.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.638 -0.71 . . . . 63.52 111.139 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . 18.5 m-85 -74.35 -29.4 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 73.2 111.004 -174.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.9 m -64.14 -46.04 85.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.152 0.501 . . . . 73.23 109.821 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.04 -51.07 71.63 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.554 -0.748 . . . . 52.34 110.174 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 27.5 mtpp -59.53 -41.74 90.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 65.33 111.104 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.73 -55.73 27.1 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.128 0.49 . . . . 63.1 110.145 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.75 89.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.639 -0.709 . . . . 74.43 110.963 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.03 -37.77 84.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 61.14 110.735 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -49.71 21.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.978 -0.555 . . . . 73.43 111.587 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.23 -2.4 58.58 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.213 -0.448 . . . . 74.52 111.981 -175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.8 t 67.87 46.88 1.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.78 0.432 . . . . 74.53 112.006 173.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.38 133.91 45.27 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.679 -0.489 . . . . 73.12 109.679 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -111.88 164.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.507 -0.553 . . . . 63.31 109.507 175.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.59 -129.95 3.49 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.885 -0.674 . . . . 63.55 112.013 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 149.48 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.083 0.441 . . . . 74.34 111.365 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 37.1 t -138.85 147.88 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.556 -0.293 . . . . 72.34 110.358 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.1 t -160.67 161.93 32.49 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.666 0.604 . . . . 62.0 110.137 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.781 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.7 t-20 -95.34 154.01 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.793 -0.447 . . . . 73.4 109.793 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.99 146.7 49.77 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.509 -0.552 . . . . 74.0 109.509 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.28 -4.45 10.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.519 -0.309 . . . . 73.5 111.621 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.29 -2.42 24.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.494 -0.321 . . . . 73.01 110.746 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.48 39.97 20.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.91 -0.876 . . . . 64.4 110.91 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 p -143.32 151.24 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.401 -0.399 . . . . 74.3 110.603 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.8 t -110.21 124.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.099 -0.704 . . . . 61.55 109.099 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.4 t -129.91 156.36 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 50.11 110.948 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.53 35.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.003 -0.544 . . . . 53.55 111.961 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.7 t -136.36 137.84 47.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 122.458 0.303 . . . . 74.14 110.31 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.2 t -114.32 136.46 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 O-C-N 123.795 0.684 . . . . 63.53 109.729 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.464 ' HG2' HG23 ' A' ' 35' ' ' THR . 4.2 mt-30 -134.71 132.07 38.4 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.295 -0.631 . . . . 75.34 109.295 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.56 -159.45 31.32 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.2 -0.524 . . . . 73.2 111.952 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.6 Cg_endo -70.13 136.65 32.54 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.411 2.074 . . . . 73.32 111.455 174.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.672 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.0 -36.74 13.3 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.713 0.634 . . . . 71.14 112.713 -174.383 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.672 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 5.9 pt-20 -70.84 -39.69 72.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.635 0.235 . . . . 53.44 111.635 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.635 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.7 mp0 -75.02 -34.69 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.269 . . . . 73.41 110.367 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.39 -40.6 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.987 -0.746 . . . . 73.43 108.987 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.569 ' O ' HG12 ' A' ' 89' ' ' VAL . 20.5 t70 -64.98 -35.94 82.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.305 -0.862 . . . . 72.04 110.212 175.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.28 94.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.386 0.613 . . . . 62.15 110.073 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -68.29 -38.25 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 72.11 110.499 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 86' ' ' ASP . 6.4 p -69.37 -35.06 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.607 -0.437 . . . . 71.34 110.339 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.03 -47.18 83.88 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.666 -0.494 . . . . 73.32 109.666 171.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.405 ' HH ' ' HE1' ' A' ' 49' ' ' PHE . 10.9 t80 -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 71.31 110.546 174.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 60.14 110.589 -178.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -65.87 -21.43 66.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.335 -0.393 . . . . 73.34 111.254 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -72.25 -26.57 62.05 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.378 -0.601 . . . . 75.41 109.378 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.48 -82.71 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.424 -0.807 . . . . 31.54 112.578 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -154.42 113.67 2.45 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 75.45 109.972 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.55 -4.54 11.06 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 63.34 112.764 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -121.01 -1.11 9.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.492 -0.322 . . . . 75.23 110.977 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.4 m -144.94 -173.75 4.16 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.833 0.349 . . . . 65.2 111.351 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.0 t -120.09 127.73 75.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.99 -0.55 . . . . 74.34 110.554 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 24.2 m -105.33 132.76 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.61 -0.515 . . . . 73.33 109.61 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -74.76 -50.31 17.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 64.2 111.423 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.93 140.84 12.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.655 0.264 . . . . 72.44 111.536 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.97 141.82 16.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 63.52 109.793 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 m -137.81 144.58 41.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.643 -0.503 . . . . 74.04 109.643 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mm -124.84 157.02 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.577 -0.527 . . . . 72.12 109.577 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 35.4 t-80 -133.98 147.03 50.96 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.994 0.426 . . . . 63.51 110.346 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.85 6.36 4.09 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.51 1.3 . . . . 71.54 114.51 -169.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.772 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 58.4 m -59.95 130.47 46.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.412 0.625 . . . . 75.32 111.678 -169.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 t -72.84 178.89 3.95 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.821 -1.081 . . . . 61.2 110.819 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.653 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 5.8 tmm_? -46.31 145.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.629 -0.714 . . . . 70.34 112.183 -172.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.653 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 35.3 m -139.79 175.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.843 -1.071 . . . . 51.15 109.422 -177.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -89.03 122.11 32.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.663 -0.495 . . . . 74.32 109.663 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.62 131.95 50.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.439 -0.346 . . . . 61.52 110.468 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.44 -28.95 5.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.629 -0.259 . . . . 74.33 111.134 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.45 141.33 5.04 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.005 -0.617 . . . . 52.42 113.087 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.408 ' HA ' ' H ' ' A' ' 66' ' ' VAL . 32.2 m-85 -92.35 111.79 23.49 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.694 -0.854 . . . . 64.33 108.694 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.4 pt-20 -163.74 128.21 2.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 71.34 111.157 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.781 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.7 mp -68.45 88.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.507 0.67 . . . . 71.13 109.847 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.542 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.0 mtt180 -87.68 139.87 30.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.012 -0.995 . . . . 61.44 110.804 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.146 -0.93 . . . . 75.33 109.101 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.993 -0.743 . . . . 64.33 108.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 94.7 m -81.18 128.1 33.39 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.076 -0.965 . . . . 71.11 109.624 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 m -121.44 129.32 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 74.11 110.294 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.35 139.72 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 70.33 109.525 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.3 t -89.86 134.88 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.462 . . . . 71.23 109.751 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -111.8 143.77 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.6 0.36 . . . . 74.21 110.782 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.9 ttt180 -151.96 110.86 3.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.834 -0.621 . . . . 74.33 109.724 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.505 ' HB ' HD11 ' A' ' 92' ' ' LEU . 9.4 p -109.79 140.01 30.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.013 -0.736 . . . . 72.44 109.013 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 102' ' ' LYS . 8.8 m -107.81 149.63 28.0 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 116.372 -0.376 . . . . 74.2 110.088 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 111.154 -0.778 . . . . 41.4 111.154 178.15 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.629 ' HB3' HG12 ' A' ' 119' ' ' ILE . 20.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.047 0.451 . . . . 63.04 110.382 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.85 87.88 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.329 -0.851 . . . . 70.11 112.547 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' HB3' HD13 ' A' ' 119' ' ' ILE . 30.6 ptt180 -67.33 -23.15 65.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 115.572 -0.74 . . . . 70.43 110.815 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.17 -53.88 53.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.289 0.566 . . . . 63.52 109.874 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.78 -26.61 59.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.547 -0.751 . . . . 73.2 110.443 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -62.0 -43.02 99.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.148 0.499 . . . . 73.23 109.893 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.24 -48.6 77.53 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.471 -0.786 . . . . 52.34 109.562 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -52.62 -52.01 57.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.778 -0.646 . . . . 65.33 110.696 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.47 -56.65 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 63.1 110.925 -171.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -65.16 -36.55 84.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 74.43 111.127 -176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.16 -45.04 82.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.836 0.35 . . . . 61.14 110.645 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.27 -47.6 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.902 -0.59 . . . . 73.43 111.316 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.79 -11.05 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.904 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m 68.09 44.22 1.49 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.09 0.471 . . . . 74.53 111.598 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.8 mm? -78.78 134.02 37.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.654 -0.499 . . . . 73.12 109.654 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -105.79 154.1 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.055 -0.72 . . . . 63.31 109.055 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.72 -137.8 7.97 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.275 -0.73 . . . . 63.55 111.275 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.19 150.18 6.32 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.252 0.526 . . . . 74.34 111.386 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -138.68 146.75 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.521 -0.548 . . . . 72.34 109.521 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.453 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 13.5 t -156.63 162.14 39.87 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.034 0.834 . . . . 62.0 110.019 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.735 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.3 t-20 -103.81 164.55 11.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.915 -0.402 . . . . 73.4 109.915 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.458 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 32.8 m-80 -132.16 148.53 52.47 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.885 -0.413 . . . . 74.0 109.885 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.93 -16.19 27.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.31 0.576 . . . . 73.5 110.619 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.5 -18.92 65.69 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.242 -0.89 . . . . 73.01 110.933 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.06 25.16 20.55 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.207 -0.521 . . . . 64.4 112.038 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.3 p -132.77 146.12 51.57 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.939 0.399 . . . . 74.3 110.66 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 48' ' ' PHE . 57.2 t -102.31 122.26 54.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 61.55 109.352 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.4 p -125.3 155.43 40.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 50.11 110.93 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.83 -167.26 37.47 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.169 -0.772 . . . . 53.55 111.169 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -140.72 135.99 34.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.7 -0.481 . . . . 74.14 109.7 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.47 140.92 31.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.875 -0.417 . . . . 63.53 109.875 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.568 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -141.24 141.67 33.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 75.34 110.06 176.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.69 -165.46 32.54 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.158 -0.777 . . . . 73.2 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 13.7 Cg_endo -59.31 144.25 99.46 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.355 2.037 . . . . 73.32 111.855 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -48.26 -44.88 33.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 71.14 111.665 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.18 -33.71 72.09 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.541 -0.3 . . . . 53.44 111.688 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.551 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.1 -43.37 53.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 73.41 110.537 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.1 t -57.55 -44.42 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.028 -0.73 . . . . 73.43 109.028 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.94 -40.54 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.266 -0.879 . . . . 72.04 110.466 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.33 90.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.021 -0.536 . . . . 62.15 110.563 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.503 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.3 t80 -65.44 -39.6 92.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.86 -0.609 . . . . 72.11 109.829 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.6 t -58.97 -42.34 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.075 0.464 . . . . 71.34 110.149 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -60.47 -47.71 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.606 -0.724 . . . . 73.32 109.661 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.024 -0.989 . . . . 71.31 110.565 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.13 -41.77 99.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.75 -0.659 . . . . 60.14 110.398 -177.208 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -72.59 -14.2 61.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.985 -0.552 . . . . 73.34 111.582 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB2' ' NZ ' ' A' ' 94' ' ' LYS . 4.9 ttmp? -69.8 -31.57 69.55 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.376 -0.601 . . . . 75.41 109.376 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.81 179.96 52.1 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.617 -0.72 . . . . 31.54 112.913 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.7 m -82.78 129.86 60.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 109.904 -0.406 . . . . 75.45 109.904 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.62 -21.44 65.45 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.664 2.242 . . . . 63.34 112.912 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -121.33 10.57 10.6 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.542 0.21 . . . . 75.23 111.468 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -150.47 126.98 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 65.2 110.326 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.74 124.96 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 74.34 110.434 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.36 134.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 73.33 110.641 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 64.9 tttm -77.06 -35.11 56.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 64.2 109.633 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 4.1 ttmp? 179.66 142.95 0.15 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.521 -0.763 . . . . 72.44 110.211 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.06 134.48 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.461 -0.57 . . . . 63.52 109.461 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.9 m -135.72 131.54 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.262 -0.273 . . . . 74.04 110.262 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.7 mm -122.13 149.16 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.161 -0.681 . . . . 72.12 109.161 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.4 t60 -132.72 151.69 51.92 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.118 0.485 . . . . 63.51 111.298 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.85 6.15 0.95 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.162 1.385 . . . . 71.54 114.624 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.8 m -59.58 130.28 46.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 0.549 . . . . 75.32 111.559 -165.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -74.83 178.88 5.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.954 -1.021 . . . . 61.2 111.938 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -42.47 120.84 1.78 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.233 1.013 . . . . 70.34 112.361 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.69 176.1 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.621 -0.718 . . . . 51.15 110.395 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.43 131.48 37.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.523 -0.547 . . . . 74.32 109.523 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.26 146.32 47.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.514 -0.312 . . . . 61.52 111.373 -176.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 20.7 t70 -131.96 -45.1 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.842 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.29 141.06 3.63 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.059 -0.591 . . . . 52.42 112.296 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -93.46 112.36 24.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.133 -0.321 . . . . 64.33 110.133 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 67' ' ' THR . 9.7 pt-20 -161.98 136.05 6.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 71.34 110.594 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.735 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -69.46 86.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.288 -1.005 . . . . 71.13 108.288 174.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.453 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 10.5 ttt85 -82.67 112.4 19.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.496 -1.229 . . . . 61.44 110.299 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.461 -0.781 . . . . 75.33 109.565 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--O 1.234 0.252 0 N-CA-C 109.323 -0.621 . . . . 64.33 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 m -92.12 152.72 19.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.277 -0.874 . . . . 71.11 110.286 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -142.99 131.5 22.34 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.353 -0.61 . . . . 74.11 109.353 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.52 140.77 33.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.653 -0.499 . . . . 70.33 109.653 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.1 t -87.09 133.58 33.6 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.263 -0.643 . . . . 71.23 109.263 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CE1' ' HB ' ' A' ' 78' ' ' VAL . 1.8 m-85 -111.58 139.32 47.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.098 -0.334 . . . . 74.21 110.098 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 28.8 ttt180 -156.66 111.06 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 74.33 109.883 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 HG22 ' A' ' 104' ' ' VAL . 14.4 p -108.04 149.75 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 72.44 110.259 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.4 p -113.23 120.83 42.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 74.2 109.83 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 111.015 -0.834 . . . . 41.4 111.015 175.171 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' ' 74' ' ' VAL . 2.3 t80 . . . . . 0 C--O 1.237 0.401 0 CA-C-O 120.705 0.288 . . . . 63.04 110.598 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.2 86.47 0.57 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.438 0.637 . . . . 70.11 111.966 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -48.5 -47.2 39.0 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.004 -0.998 . . . . 70.43 111.975 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -64.46 -36.99 85.98 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.451 -0.34 . . . . 63.52 111.307 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.91 -34.4 59.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.603 -0.271 . . . . 73.2 110.736 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.0 m -62.84 -42.11 99.61 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.325 0.583 . . . . 73.23 109.51 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -56.16 -56.52 19.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.077 -0.965 . . . . 52.34 110.047 175.246 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -52.92 -51.92 59.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.737 -0.665 . . . . 65.33 111.168 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.18 -59.47 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 63.1 110.877 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.91 93.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.684 -0.689 . . . . 74.43 111.072 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' HE2' ' A' ' 54' ' ' LYS . 29.0 t70 -66.11 -36.3 82.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 61.14 110.904 -177.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.52 -49.34 49.23 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.345 -0.389 . . . . 73.43 111.318 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.25 -4.4 59.16 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.505 -0.316 . . . . 74.52 111.264 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t 67.94 40.53 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.105 0.562 . . . . 74.53 111.348 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.12 133.68 37.81 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.585 -0.894 . . . . 73.12 108.585 170.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' A' ' 79' ' ' GLN . 32.1 m -110.9 156.21 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.734 -0.469 . . . . 63.31 109.734 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.63 6.24 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.906 -0.877 . . . . 63.55 110.906 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -166.96 149.13 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.236 0.518 . . . . 74.34 111.025 179.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -138.92 142.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.46 -0.336 . . . . 72.34 110.463 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -153.01 161.65 42.28 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.726 0.641 . . . . 62.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.461 ' HB2' HG23 ' A' ' 119' ' ' ILE . 14.9 t-20 -101.7 150.6 22.96 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.862 -0.422 . . . . 73.4 109.862 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -123.54 148.31 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.83 -0.433 . . . . 74.0 109.83 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.65 -22.45 5.11 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.612 0.57 . . . . 73.5 111.774 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.52 -11.72 46.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.85 -0.614 . . . . 73.01 111.537 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.34 0.02 82.94 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.942 -0.647 . . . . 64.4 111.903 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.7 p -103.35 132.6 49.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 110.137 -0.32 . . . . 74.3 110.137 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 48' ' ' PHE . 29.3 t -92.73 128.46 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.72 -0.845 . . . . 61.55 108.72 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.1 p -133.59 149.27 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.003 0.43 . . . . 50.11 111.905 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.02 -166.32 34.29 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.45 -0.796 . . . . 53.55 111.244 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.56 139.09 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.022 0.411 . . . . 74.14 110.1 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 72.4 t -117.57 141.91 34.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.757 -0.46 . . . . 63.53 109.757 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -145.32 149.43 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.156 177.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.93 -156.44 26.68 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 111.447 -0.661 . . . . 73.2 111.447 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.3 Cg_endo -64.68 131.62 30.08 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.453 2.102 . . . . 73.32 111.474 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -52.66 -27.69 18.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.333 -0.394 . . . . 71.14 111.478 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.0 -52.22 57.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.293 -0.412 . . . . 53.44 110.917 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.42 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -74.41 -35.47 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.702 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 89' ' ' VAL . 96.9 t -59.01 -44.47 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.472 -0.566 . . . . 73.43 109.472 173.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.84 -42.53 99.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.343 -0.844 . . . . 72.04 109.864 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.0 77.86 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.396 -0.82 . . . . 62.15 110.829 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.63 -34.74 74.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.742 -0.663 . . . . 72.11 109.832 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 85' ' ' VAL . 83.2 t -59.08 -50.74 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.173 -0.467 . . . . 71.34 110.468 174.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.78 -46.32 84.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.287 0.565 . . . . 73.32 109.702 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.27 -41.32 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.927 -1.033 . . . . 71.31 110.679 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -35.35 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 60.14 110.292 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -79.85 -11.36 59.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.671 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -76.73 -47.61 21.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.598 -0.519 . . . . 75.41 109.598 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.12 175.05 45.21 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.466 -0.788 . . . . 31.54 113.189 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 m -85.76 139.92 35.39 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 110.187 -0.301 . . . . 75.45 110.187 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.17 -44.26 50.98 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.223 2.615 . . . . 63.34 113.055 -174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -72.37 -26.38 61.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.815 0.34 . . . . 75.23 111.286 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.6 t -109.3 177.28 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 65.2 111.706 -169.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.56 121.44 50.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.312 -0.858 . . . . 74.34 108.984 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.0 m -71.89 112.41 7.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.496 0.665 . . . . 73.33 110.267 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.48 -45.24 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 64.2 110.565 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -160.18 121.34 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 72.44 110.551 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 40' ' ' VAL . 63.1 t -91.31 139.73 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.885 -0.783 . . . . 63.52 108.885 173.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.6 m -137.08 122.52 19.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 74.04 110.189 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 mm -116.83 145.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.86 -0.793 . . . . 72.12 108.86 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 54.6 t60 -128.89 152.7 48.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.361 0.6 . . . . 63.51 111.422 -175.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.58 0.92 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.878 1.271 . . . . 71.54 114.299 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.1 m -59.18 135.41 57.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.476 0.655 . . . . 75.32 111.998 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.1 p -72.12 178.33 3.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.585 -1.189 . . . . 61.2 112.488 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -54.02 134.48 43.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.438 -0.801 . . . . 70.34 112.01 -174.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.04 175.89 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.489 -0.778 . . . . 51.15 109.715 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -84.61 139.94 31.72 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.711 -0.477 . . . . 74.32 109.711 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.28 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 61.52 110.643 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 26.7 t70 -144.46 -47.84 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.572 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.86 143.83 4.06 Favored Glycine 0 C--O 1.239 0.409 0 C-N-CA 120.824 -0.703 . . . . 52.42 112.955 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -91.57 111.49 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.596 -0.89 . . . . 64.33 108.596 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.31 129.04 3.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.746 0.308 . . . . 71.34 110.505 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 41.6 mm -66.96 86.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.446 0.641 . . . . 71.13 110.799 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.565 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 50.6 mtt180 -79.24 144.59 34.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.831 -1.077 . . . . 61.44 110.126 175.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.957 -0.565 . . . . 75.33 109.653 179.236 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.571 -0.529 . . . . 64.33 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.7 m -77.12 128.8 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.72 -0.673 . . . . 71.11 110.182 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 79' ' ' GLN . 93.1 m -124.12 132.11 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.343 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -144.24 134.35 24.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 70.33 109.409 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 50.2 m -87.22 138.51 31.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.953 -0.388 . . . . 71.23 109.953 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.87 144.8 40.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.989 0.423 . . . . 74.21 111.485 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -152.63 110.69 3.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.38 -0.827 . . . . 74.33 109.253 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.85 148.84 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.183 -0.462 . . . . 72.44 109.925 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -110.04 148.9 30.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.324 -0.398 . . . . 74.2 110.462 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.244 0 C-N-CA 121.239 -0.505 . . . . 41.4 111.864 178.477 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.504 ' HB3' HG12 ' A' ' 119' ' ' ILE . 28.3 t80 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 108.712 -0.847 . . . . 63.04 108.712 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.481 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -58.02 82.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.932 0.715 . . . . 70.11 112.932 -174.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HB2' HD13 ' A' ' 119' ' ' ILE . 55.0 ttp180 -58.14 -30.68 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.179 -0.919 . . . . 70.43 111.356 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -52.0 67.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.146 0.498 . . . . 63.52 110.403 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -78.5 -24.26 45.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.2 110.894 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -63.8 -45.9 87.6 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.454 -0.572 . . . . 73.23 109.454 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.63 -50.57 72.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.436 -0.802 . . . . 52.34 110.031 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -52.79 -52.21 57.69 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.233 -0.44 . . . . 65.33 111.08 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.31 -59.99 4.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 63.1 110.736 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.69 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 74.43 111.414 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -73.77 -40.95 63.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.885 0.374 . . . . 61.14 110.64 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.29 71.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.12 -0.491 . . . . 73.43 111.133 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 61.0 mt -90.85 -10.04 44.15 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.257 -0.429 . . . . 74.52 111.752 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m 68.59 45.82 1.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.257 -0.429 . . . . 74.53 111.762 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.19 133.67 34.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.659 -0.867 . . . . 73.12 108.659 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.3 m -112.6 161.02 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.883 -0.414 . . . . 63.31 109.883 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.93 -132.06 4.38 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.251 -0.74 . . . . 63.55 111.251 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.15 148.21 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.199 0.499 . . . . 74.34 111.057 178.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -138.94 144.79 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.246 -0.434 . . . . 72.34 110.383 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -156.2 161.9 40.24 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.813 0.845 . . . . 62.0 109.48 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.46 ' HB2' HG23 ' A' ' 119' ' ' ILE . 28.9 t-20 -120.24 159.48 24.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.788 0.327 . . . . 73.4 110.621 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -127.54 162.59 26.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 74.0 110.388 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.54 -26.14 12.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.771 -0.65 . . . . 73.5 112.285 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.37 -3.31 16.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.548 -0.297 . . . . 73.01 111.178 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.47 67.71 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.004 -0.838 . . . . 64.4 111.004 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.6 p -103.52 130.32 50.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.357 -0.421 . . . . 74.3 110.813 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.25 115.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -123.12 153.68 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.386 -0.37 . . . . 50.11 110.967 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.48 -159.67 31.41 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.777 -0.529 . . . . 53.55 111.777 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.5 t -140.58 140.62 33.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.936 -0.394 . . . . 74.14 109.936 178.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.92 142.75 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.36 -0.607 . . . . 63.53 109.36 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.7 mt-30 -143.51 135.5 26.69 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.458 -0.571 . . . . 75.34 109.458 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.11 -163.7 32.96 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.845 -0.693 . . . . 73.2 112.253 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.2 Cg_endo -66.34 136.17 42.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.37 2.046 . . . . 73.32 110.982 177.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -20.87 35.26 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.714 0.265 . . . . 71.14 111.714 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.88 -51.74 56.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.438 0.637 . . . . 53.44 110.327 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.553 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.6 mp0 -75.24 -30.71 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.248 -0.887 . . . . 73.41 110.853 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.36 -40.11 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.401 -0.592 . . . . 73.43 109.401 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.535 ' O ' HG12 ' A' ' 89' ' ' VAL . 14.0 t70 -59.98 -47.35 86.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.874 173.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.54 -43.26 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.39 -0.823 . . . . 62.15 110.751 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -67.69 -44.95 76.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.461 -0.791 . . . . 72.11 111.063 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.1 p -64.79 -37.63 80.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.749 0.309 . . . . 71.34 110.333 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.37 -42.59 92.55 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.798 0.332 . . . . 73.32 110.181 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -56.6 -40.75 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 71.31 109.992 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -35.25 76.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.451 -0.795 . . . . 60.14 110.3 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -62.52 -22.46 66.31 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.997 -0.547 . . . . 73.34 111.119 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -73.86 -57.41 4.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.912 0.387 . . . . 75.41 110.121 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.48 33.01 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.864 -0.607 . . . . 31.54 112.68 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.759 ' HB3' ' HB3' ' A' ' 99' ' ' SER . 33.4 t -90.1 141.41 27.85 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 109.57 -0.53 . . . . 75.45 109.57 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.18 -44.83 40.45 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.016 2.477 . . . . 63.34 113.045 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -102.85 5.18 38.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.401 -0.363 . . . . 75.23 111.267 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.759 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.7 t -134.6 81.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.121 -0.696 . . . . 65.2 109.121 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.3 129.89 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.183 -0.917 . . . . 74.34 109.925 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.17 122.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.516 0.674 . . . . 73.33 111.45 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -73.33 -45.56 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.251 -0.886 . . . . 64.2 108.774 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -168.25 137.79 2.47 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.921 -1.036 . . . . 72.44 109.646 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.89 139.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.032 -0.358 . . . . 63.52 110.032 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.3 m -135.72 132.78 37.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.084 -0.339 . . . . 74.04 110.084 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -120.45 151.99 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.677 -0.49 . . . . 72.12 109.677 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 17.2 t60 -130.48 147.62 52.2 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.015 0.436 . . . . 63.51 110.808 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.95 5.51 6.45 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.657 1.355 . . . . 71.54 114.657 -168.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.707 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 61.5 m -59.65 130.21 45.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.429 0.559 . . . . 75.32 112.003 -170.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.2 t -74.29 178.81 4.9 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.286 -0.87 . . . . 61.2 111.487 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -42.79 131.32 4.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.405 -0.816 . . . . 70.34 112.94 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.37 176.31 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.305 -0.861 . . . . 51.15 109.85 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.33 120.89 27.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.338 -0.245 . . . . 74.32 110.338 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.71 155.07 39.05 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.871 0.367 . . . . 61.52 111.387 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 31.5 t70 -133.47 -48.6 0.83 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.876 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.16 144.3 3.91 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.995 -0.622 . . . . 52.42 113.048 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -91.44 112.4 24.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.572 -0.529 . . . . 64.33 109.572 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 9.9 pt-20 -162.86 125.33 2.69 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.972 -0.291 . . . . 71.34 110.95 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 50' ' ' ARG . 1.7 mp -63.76 87.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 71.13 109.838 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 87.0 mtt180 -84.86 144.67 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.524 -1.216 . . . . 61.44 111.086 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.494 -0.775 . . . . 75.33 109.014 174.647 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.74 -0.467 . . . . 64.33 109.74 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -86.1 110.81 19.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.142 -0.481 . . . . 71.11 109.987 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 79' ' ' GLN . 85.6 m -119.23 124.43 46.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.76 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 35' ' ' THR . 3.3 mm? -134.29 135.98 43.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.853 -0.795 . . . . 70.33 108.853 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.82 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 36.6 m -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.637 -0.505 . . . . 71.23 109.637 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.64 147.66 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.323 -0.399 . . . . 74.21 111.067 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -157.56 110.78 2.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.419 -0.809 . . . . 74.33 109.346 168.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.39 146.59 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.305 -0.407 . . . . 72.44 109.935 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.1 t -114.15 152.51 31.04 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.301 0.572 . . . . 74.2 110.968 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 CA-C-N 115.08 -0.964 . . . . 41.4 112.419 -176.444 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 t80 . . . . . 0 C--O 1.232 0.152 0 N-CA-C 109.092 -0.707 . . . . 63.04 109.092 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -60.47 80.92 0.01 OUTLIER 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.753 0.649 . . . . 70.11 112.753 -176.281 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HB2' HG12 ' A' ' 119' ' ' ILE . 31.5 ttp180 -56.14 -42.63 77.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.422 -0.808 . . . . 70.43 111.032 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.36 -52.09 65.88 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.91 -0.586 . . . . 63.52 111.148 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.38 -32.89 64.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.878 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -64.34 -45.7 86.71 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.035 0.445 . . . . 73.23 110.791 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.41 -40.31 77.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 52.34 109.987 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.38 -44.88 84.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.412 0.625 . . . . 65.33 110.175 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.08 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.084 -0.962 . . . . 63.1 110.001 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.08 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.318 -0.855 . . . . 74.43 111.416 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.82 -45.49 92.19 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.511 . . . . 61.14 110.71 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.12 43.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 73.43 111.494 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.8 -4.0 58.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.343 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 67.88 44.61 1.52 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.981 0.513 . . . . 74.53 112.225 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.57 133.88 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.528 -0.545 . . . . 73.12 109.528 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -111.94 160.73 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.294 -0.632 . . . . 63.31 109.294 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -135.27 6.22 Favored Glycine 0 CA--C 1.507 -0.413 0 N-CA-C 110.482 -1.047 . . . . 63.55 110.482 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.23 158.44 11.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.222 0.511 . . . . 74.34 111.349 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' ' HA ' ' A' ' 117' ' ' PHE . 5.5 t -138.69 148.98 23.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.784 -0.45 . . . . 72.34 109.784 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -154.9 161.68 41.35 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 124.437 1.085 . . . . 62.0 109.781 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.542 ' HB2' HG23 ' A' ' 119' ' ' ILE . 15.2 t-20 -95.51 155.6 16.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.789 0.328 . . . . 73.4 110.786 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -121.14 146.37 46.83 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.741 -0.837 . . . . 74.0 108.741 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.88 -13.43 62.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.291 0.567 . . . . 73.5 109.878 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.69 -10.4 36.16 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.53 -0.759 . . . . 73.01 111.09 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.6 26.33 39.19 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 110.817 -0.913 . . . . 64.4 110.817 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -127.21 146.96 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.24 -0.48 . . . . 74.3 110.475 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.23 121.28 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.35 -0.611 . . . . 61.55 109.35 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -117.95 161.33 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 50.11 110.839 -175.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.23 -165.41 38.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.221 -0.514 . . . . 53.55 111.94 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 44.2 t -140.62 140.2 34.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.826 -0.435 . . . . 74.14 109.826 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.77 140.39 41.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 109.287 -0.634 . . . . 63.53 109.287 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.8 mt-30 -141.93 132.16 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.489 -0.56 . . . . 75.34 109.489 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.32 33.9 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.928 -0.469 . . . . 73.2 111.928 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.85 136.24 34.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.697 2.265 . . . . 73.32 110.96 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -55.02 -22.66 16.26 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.368 0.507 . . . . 71.14 112.368 -172.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.18 -51.25 32.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.145 0.498 . . . . 53.44 110.178 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.63 -33.01 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 73.41 109.998 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.8 t -60.35 -43.44 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.263 -0.643 . . . . 73.43 109.263 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.51 -37.78 87.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.042 -0.526 . . . . 72.04 110.183 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.72 87.86 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.245 0.545 . . . . 62.15 110.135 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -70.74 -36.85 73.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.324 -0.853 . . . . 72.11 110.278 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.9 t -62.18 -47.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.79 -0.448 . . . . 71.34 109.79 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 55.5 tptt -57.45 -44.11 84.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 73.32 109.922 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.748 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 57.4 t80 -61.77 -38.89 89.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.732 -0.667 . . . . 71.31 110.431 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -42.51 85.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 60.14 110.117 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.88 -25.22 67.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.954 -0.566 . . . . 73.34 110.878 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.748 ' HD3' ' HA ' ' A' ' 91' ' ' TYR . 53.8 mtpt -63.46 -46.51 85.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.704 -0.48 . . . . 75.41 109.704 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.03 -179.35 38.92 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.662 -0.699 . . . . 31.54 112.862 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 99' ' ' SER . 41.6 t -72.51 145.94 88.19 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.273 -0.269 . . . . 75.45 110.273 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 18.4 Cg_exo -67.09 -24.18 45.22 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.69 2.26 . . . . 63.34 112.312 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.56 -26.58 7.01 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.203 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 96' ' ' SER . 4.4 m -101.96 99.72 9.93 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.815 -0.439 . . . . 65.2 109.815 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 60.2 t -73.24 134.2 30.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.368 -0.378 . . . . 74.34 109.994 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.55 149.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 73.33 110.776 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -97.63 -36.84 10.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 64.2 110.267 177.603 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -169.26 138.01 1.99 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.672 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 p -106.67 133.87 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 63.52 109.683 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.4 m -128.92 120.4 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.63 -0.507 . . . . 74.04 109.63 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 36' ' ' LEU . 21.6 mm -111.11 154.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.211 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.5 m-70 -126.53 145.81 50.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.919 0.39 . . . . 63.51 110.559 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 5.71 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.342 1.057 . . . . 71.54 113.324 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.82 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 51.4 m -59.95 138.59 57.8 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.179 0.514 . . . . 75.32 112.06 -168.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 112' ' ' VAL . 14.9 p -81.28 178.75 8.2 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.969 -1.014 . . . . 61.2 112.692 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -44.21 132.4 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.161 0.985 . . . . 70.34 112.933 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 110' ' ' SER . 35.6 m -132.18 176.06 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.616 -0.72 . . . . 51.15 110.546 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -76.74 123.5 26.27 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.013 -0.366 . . . . 74.32 110.013 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.59 138.91 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 61.52 111.201 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 -52.23 2.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 74.33 110.555 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.03 146.4 4.31 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.023 -0.535 . . . . 52.42 112.412 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.425 ' HA ' ' N ' ' A' ' 66' ' ' VAL . 13.7 m-85 -90.31 112.07 23.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.181 -0.674 . . . . 64.33 109.181 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 10.0 pt-20 -154.52 169.78 22.99 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.587 -0.445 . . . . 71.34 110.844 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.611 HG12 ' HB2' ' A' ' 50' ' ' ARG . 33.6 mm -100.95 86.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.496 0.665 . . . . 71.13 109.906 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.494 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 51.7 mtt85 -80.4 140.72 35.89 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.872 -1.058 . . . . 61.44 109.955 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.785 -0.82 . . . . 75.33 108.785 178.693 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 107.98 -1.119 . . . . 64.33 107.98 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.6 m -76.86 124.46 27.76 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.901 -1.045 . . . . 71.11 110.122 -171.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 79' ' ' GLN . 91.2 m -121.88 126.33 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.75 -0.659 . . . . 74.11 109.863 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -140.7 133.15 28.47 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.26 -0.644 . . . . 70.33 109.26 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 29.9 t -85.29 137.89 32.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.829 -0.434 . . . . 71.23 109.829 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.46 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 5.1 m-85 -111.32 145.64 38.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.845 0.355 . . . . 74.21 110.634 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -154.97 110.81 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 74.33 109.676 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 103' ' ' LYS . 10.6 p -119.05 145.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.73 -0.47 . . . . 72.44 109.73 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 p -107.73 118.9 37.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.368 . . . . 74.2 110.395 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 C-N-CA 120.962 -0.637 . . . . 41.4 111.626 178.152 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.483 ' HD2' HD11 ' A' ' 119' ' ' ILE . 7.6 t80 . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 108.233 -1.025 . . . . 63.04 108.233 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . 5.0 p90 -71.56 75.4 0.8 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.783 0.801 . . . . 70.11 112.398 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.624 ' NH1' ' HB2' ' A' ' 118' ' ' GLU . 4.3 tpt180 -59.09 151.84 21.53 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.041 -0.982 . . . . 70.43 108.843 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.2 mttp 71.32 -62.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.855 0.462 . . . . 63.52 110.149 -170.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . 57.5 m-85 -55.13 -33.93 63.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 73.2 112.007 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 m -55.23 -53.57 54.35 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.445 0.64 . . . . 73.23 110.564 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -71.19 -40.83 70.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.38 -0.827 . . . . 52.34 109.042 -176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 11.8 tmtt? -53.47 -52.0 60.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.725 . . . . 65.33 110.532 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 54.7 tp10 -65.88 -52.25 51.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.011 -0.54 . . . . 63.1 110.452 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.89 -48.14 78.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 74.43 110.619 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.08 -36.31 83.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 61.14 111.032 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.67 -47.66 58.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.358 -0.383 . . . . 73.43 111.274 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.83 -3.36 56.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.312 -0.404 . . . . 74.52 110.704 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.2 t 68.86 37.98 2.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.836 -0.62 . . . . 74.53 111.539 172.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 84' ' ' GLN . 2.1 mm? -87.2 133.52 33.64 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.945 -0.761 . . . . 73.12 108.945 169.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.5 m -109.47 163.55 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.473 -0.566 . . . . 63.31 109.473 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 -135.18 6.77 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 111.171 -0.772 . . . . 63.55 111.171 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.08 148.95 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.027 0.413 . . . . 74.34 111.294 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 t -138.74 142.01 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.735 -0.469 . . . . 72.34 109.735 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -148.64 161.73 41.13 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 124.08 0.862 . . . . 62.0 109.659 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 119' ' ' ILE . 4.3 t-20 -100.63 155.76 17.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.577 -0.527 . . . . 73.4 109.577 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.401 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.5 m-80 -119.73 150.54 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.769 -0.826 . . . . 74.0 108.769 176.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.72 -4.08 21.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.324 0.583 . . . . 73.5 110.285 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.97 -7.86 53.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.706 -0.679 . . . . 73.01 110.207 172.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.19 4.63 71.23 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.909 -0.587 . . . . 64.4 111.735 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 p -106.68 135.62 47.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 74.3 110.942 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.3 t -96.42 129.42 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.809 -0.811 . . . . 61.55 108.809 173.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.8 m -137.94 151.41 47.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.049 0.452 . . . . 50.11 111.231 -175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.87 -164.69 32.07 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.639 -0.71 . . . . 53.55 111.373 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 56.5 t -136.94 140.23 43.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.948 -0.39 . . . . 74.14 109.948 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.06 143.45 28.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.643 -0.503 . . . . 63.53 109.643 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.528 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.8 mt-30 -142.91 134.99 27.17 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.484 -0.562 . . . . 75.34 109.484 -178.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.15 -170.85 38.74 Favored Glycine 0 C--O 1.228 -0.22 0 C-N-CA 121.096 -0.573 . . . . 73.2 111.986 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 18.8 Cg_endo -60.66 147.03 96.12 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.309 2.006 . . . . 73.32 111.638 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.5 tmtm? -47.2 -47.81 24.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.11 -0.496 . . . . 71.14 111.482 -176.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.67 -35.54 77.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 53.44 111.831 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.533 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.16 -38.61 60.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.698 0.285 . . . . 73.41 110.659 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.85 -38.02 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.289 -0.634 . . . . 73.43 109.289 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.93 -36.88 84.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.095 -0.957 . . . . 72.04 109.236 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' GLN . . . -60.47 -42.76 96.89 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.596 -0.729 . . . . 62.15 110.43 174.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -65.98 -45.6 81.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 72.11 110.931 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.46 ' HB ' ' OH ' ' A' ' 38' ' ' TYR . 8.6 p -66.73 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 120.983 0.42 . . . . 71.34 110.318 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -63.06 -42.24 99.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 73.32 109.996 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.8 -40.98 88.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.498 -0.773 . . . . 71.31 110.388 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.924 -0.58 . . . . 60.14 110.062 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -64.77 -11.06 32.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.059 -0.519 . . . . 73.34 111.762 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 94' ' ' LYS . 3.0 mmmp? -83.23 -19.47 36.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.852 0.358 . . . . 75.41 110.496 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.47 -168.29 51.21 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.111 -0.495 . . . . 31.54 112.665 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 17.8 m -103.23 145.26 30.26 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 109.962 -0.384 . . . . 75.45 109.962 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.72 -47.02 10.04 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.473 2.782 . . . . 63.34 114.262 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -108.52 10.36 27.23 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.895 0.332 . . . . 75.23 111.895 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.722 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.8 t -115.8 148.62 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.032 0.444 . . . . 65.2 110.96 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.1 109.78 29.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.775 -0.648 . . . . 74.34 109.701 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.4 m -81.25 111.48 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 73.33 110.409 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.69 -54.7 7.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 64.2 109.653 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . 8.9 mtpm? -134.4 124.97 26.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.667 -0.697 . . . . 72.44 110.47 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.1 p -105.78 109.04 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.513 -0.921 . . . . 63.52 108.513 170.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -122.09 130.94 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.138 -169.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.3 mm -114.09 152.35 15.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.243 -0.651 . . . . 72.12 109.243 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.4 t60 -131.95 147.31 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.094 0.473 . . . . 63.51 110.814 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.17 6.54 0.94 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.803 1.409 . . . . 71.54 114.803 -171.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.9 m -59.5 130.11 45.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.194 0.521 . . . . 75.32 111.276 -169.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 p -78.26 178.41 7.66 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.16 -0.927 . . . . 61.2 111.956 -173.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -48.13 139.15 8.61 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.022 0.749 . . . . 70.34 113.022 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.42 176.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.023 -0.989 . . . . 51.15 109.71 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -85.31 139.2 31.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.835 -0.432 . . . . 74.32 109.835 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.3 159.55 28.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 61.52 111.592 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -138.4 -45.76 0.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.105 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.4 139.58 3.12 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.843 -0.694 . . . . 52.42 112.913 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.39 112.17 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.924 -0.399 . . . . 64.33 109.924 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.624 ' HB2' ' NH1' ' A' ' 50' ' ' ARG . 10.6 pt-20 -162.7 136.22 6.05 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.558 -0.457 . . . . 71.34 111.211 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.483 HD11 ' HD2' ' A' ' 48' ' ' PHE . 30.8 mm -70.44 86.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.621 0.724 . . . . 71.13 109.657 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 59.9 mtt180 -73.78 123.66 24.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.9 -1.046 . . . . 61.44 111.469 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 C--O 1.252 1.197 0 CA-C-N 114.424 -1.262 . . . . 75.33 108.862 -177.205 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.544 0.211 . . . . 64.33 110.702 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -95.39 142.38 27.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.545 -0.539 . . . . 71.11 109.545 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' HG2' ' A' ' 79' ' ' GLN . 62.3 m -148.98 132.27 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.657 0.265 . . . . 74.11 110.868 -177.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -146.28 142.63 28.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.294 -0.632 . . . . 70.33 109.294 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 34.9 m -85.39 137.71 32.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.451 -0.341 . . . . 71.23 110.179 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.83 139.64 47.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.289 -0.414 . . . . 74.21 110.144 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -147.26 123.3 10.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 74.33 109.823 175.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' HB ' HD11 ' A' ' 92' ' ' LEU . 13.5 p -136.46 150.64 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.562 -0.29 . . . . 72.44 110.884 -174.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 p -98.8 117.37 33.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.613 0.244 . . . . 74.2 111.2 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.439 0 N-CA-C 111.021 -0.832 . . . . 41.4 111.021 175.161 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.535 ' HB2' HG21 ' A' ' 74' ' ' VAL . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.465 -0.569 . . . . 63.04 109.465 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 32.5 m-85 -83.83 109.41 17.53 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.18 0.514 . . . . 70.11 111.633 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -52.91 -27.02 16.8 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.043 -0.98 . . . . 70.43 110.847 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.43 -63.01 1.42 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.433 -0.348 . . . . 63.52 110.962 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' HD2' ' HB2' ' A' ' 49' ' ' PHE . 78.8 m-85 -63.66 -36.95 85.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.101 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 m -61.23 -41.77 97.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.22 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.62 -45.99 87.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.411 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.7 -51.16 69.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.275 -0.42 . . . . 65.33 111.097 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.87 -54.76 42.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.285 0.564 . . . . 63.1 110.244 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -61.39 -39.5 90.9 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.63 -0.714 . . . . 74.43 111.735 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.5 -43.98 53.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 61.14 110.684 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.01 85.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 73.43 111.142 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 -12.54 31.13 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.9 0.381 . . . . 74.52 110.982 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 m 65.83 61.57 0.65 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.236 -0.438 . . . . 74.53 111.434 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 140.9 30.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.322 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.2 m -112.41 151.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.93 -0.767 . . . . 63.31 108.93 173.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.47 -138.94 6.82 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.991 -0.843 . . . . 63.55 110.991 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 148.02 5.67 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 117.429 0.615 . . . . 74.34 111.423 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -139.04 144.9 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.501 -0.318 . . . . 72.34 110.724 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -153.71 161.86 41.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.091 0.956 . . . . 62.0 109.229 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.669 ' HB2' HG23 ' A' ' 119' ' ' ILE . 29.1 t-20 -102.4 153.85 19.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.849 -0.426 . . . . 73.4 109.849 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -118.53 158.69 24.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.771 -0.455 . . . . 74.0 109.771 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.24 -24.87 60.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.951 0.405 . . . . 73.5 111.257 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -68.02 -7.53 29.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.191 -0.459 . . . . 73.01 111.468 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.11 3.29 76.29 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.424 -0.671 . . . . 64.4 111.424 -175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -91.79 129.12 37.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.596 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 48' ' ' PHE . 35.9 t -92.69 114.88 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.687 -0.857 . . . . 61.55 108.687 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 m -122.02 157.33 31.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.549 -0.296 . . . . 50.11 110.653 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.95 -161.72 33.0 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.265 -0.493 . . . . 53.55 112.477 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.551 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 62.1 t -139.98 135.42 37.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 122.867 0.467 . . . . 74.14 110.392 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.11 134.46 53.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 123.717 0.636 . . . . 63.53 109.685 173.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.564 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.3 mt-30 -136.29 153.53 51.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.229 -0.442 . . . . 75.34 109.992 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.91 -159.12 25.42 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.842 -0.503 . . . . 73.2 111.842 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 134.6 33.84 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.246 1.964 . . . . 73.32 110.758 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -56.74 -20.7 23.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.154 0.427 . . . . 71.14 112.154 -173.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 32.7 mt-10 -67.28 -51.72 49.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.78 0.8 . . . . 53.44 109.899 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.89 -29.68 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.293 -0.867 . . . . 73.41 110.445 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.88 -41.44 90.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.039 -0.726 . . . . 73.43 109.039 170.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.494 ' HA ' HG12 ' A' ' 89' ' ' VAL . 19.6 t70 -64.38 -35.36 80.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.973 -0.558 . . . . 72.04 110.604 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 90' ' ' LYS . . . -63.72 -41.47 98.06 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.099 0.476 . . . . 62.15 110.827 175.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 8.8 t80 -68.13 -42.5 80.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 72.11 110.428 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 86' ' ' ASP . 9.7 p -64.27 -34.59 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 110.013 -0.365 . . . . 71.34 110.013 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 87' ' ' ALA . 13.8 ttpp -53.35 -53.34 52.57 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.105 -0.702 . . . . 73.32 109.105 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.0 t80 -59.47 -39.87 85.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.519 -0.764 . . . . 71.31 110.81 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -65.19 -41.25 94.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.68 0.276 . . . . 60.14 110.393 -176.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -61.93 -31.3 71.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.013 0.435 . . . . 73.34 110.539 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.05 -23.27 26.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.704 . . . . 75.41 110.269 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' TYR . . . 56.57 -159.7 8.56 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.038 -0.825 . . . . 31.54 111.038 -171.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.3 m -74.91 118.05 67.41 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 107.857 -1.164 . . . . 75.45 107.857 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 9.69 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.881 0 C-N-CA 123.204 2.603 . . . . 63.34 114.44 -168.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -118.95 -22.69 7.18 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.062 0.458 . . . . 75.23 109.988 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -92.02 -179.1 5.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.928 -0.578 . . . . 65.2 110.48 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.87 105.07 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 110.143 -0.317 . . . . 74.34 110.143 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.38 119.68 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.393 -0.595 . . . . 73.33 109.393 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -87.97 -41.42 13.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 64.2 111.874 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . 6.9 ttpm? -147.99 135.43 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.602 0.239 . . . . 72.44 111.267 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.86 142.4 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.451 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.0 m -138.18 139.15 39.21 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.46 -0.57 . . . . 74.04 109.46 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.1 mm -126.48 148.67 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.074 -0.343 . . . . 72.12 110.074 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 10.1 t-80 -128.36 143.12 50.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.846 0.355 . . . . 63.51 110.619 -176.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.58 6.28 3.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -170.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.612 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 67.8 m -59.84 138.86 57.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.422 0.629 . . . . 75.32 112.367 -167.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.3 m -71.37 178.38 3.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.647 -1.16 . . . . 61.2 112.548 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -59.23 136.3 57.91 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.159 -0.928 . . . . 70.34 112.24 -174.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' H ' ' NE2' ' A' ' 79' ' ' GLN . 27.7 m -131.84 175.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.58 -0.736 . . . . 51.15 110.015 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.19 126.84 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.995 -0.372 . . . . 74.32 109.995 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.97 147.93 50.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.228 -0.442 . . . . 61.52 111.724 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 8.7 t70 -121.31 -43.34 2.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.937 -0.574 . . . . 74.33 110.703 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.49 141.43 4.08 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.261 -0.495 . . . . 52.42 112.657 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.08 111.93 23.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.452 -0.573 . . . . 64.33 109.452 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.7 pt-20 -162.72 127.33 3.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 71.34 110.474 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.8 mp -66.76 86.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.618 0.723 . . . . 71.13 110.022 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.569 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.9 mtt180 -81.38 144.33 31.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.737 -1.12 . . . . 61.44 110.8 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.71 -0.662 . . . . 75.33 109.337 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.801 0.334 . . . . 64.33 110.225 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.4 m -94.58 146.27 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.782 -0.451 . . . . 71.11 109.782 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 79' ' ' GLN . 76.2 m -147.29 134.74 20.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.275 -0.268 . . . . 74.11 110.275 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.46 142.9 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.348 -0.612 . . . . 70.33 109.348 172.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 63.6 m -89.07 143.1 27.09 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.93 -0.396 . . . . 71.23 109.93 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CE1' ' HB ' ' A' ' 78' ' ' VAL . 1.3 m-85 -111.73 139.24 47.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.769 -0.456 . . . . 74.21 109.769 -178.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -146.82 111.27 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 74.33 108.819 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.11 145.62 32.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.481 0.658 . . . . 72.44 111.001 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.438 HG22 ' HB3' ' A' ' 73' ' ' SER . 36.8 p -118.66 132.81 56.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.067 -1.086 . . . . 74.2 108.067 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . . . . . . 0 N--CA 1.444 -0.822 0 C-N-CA 119.962 -1.113 . . . . 41.4 113.293 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 109.93 -0.396 . . . . 63.04 109.93 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' HE2' ' HB2' ' A' ' 99' ' ' SER . 3.7 p90 4.07 76.96 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.204 1.402 . . . . 70.11 114.372 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.526 ' HB2' HD13 ' A' ' 119' ' ' ILE . 64.9 ttt180 -65.55 -19.49 65.94 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.99 -0.55 . . . . 70.43 109.902 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.87 -59.38 5.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.902 -0.59 . . . . 63.52 110.013 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -72.7 -38.07 67.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.67 -0.695 . . . . 73.2 110.887 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.2 m -58.12 -46.73 85.08 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.016 0.436 . . . . 73.23 110.583 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -65.06 -47.14 78.36 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.906 -0.588 . . . . 52.34 110.14 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -52.47 -51.53 58.88 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.304 0.377 . . . . 65.33 110.49 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.38 -57.41 12.89 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.657 -0.702 . . . . 63.1 110.782 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.75 96.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.685 -0.689 . . . . 74.43 111.562 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.96 -36.19 81.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 61.14 111.018 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.96 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.482 -0.326 . . . . 73.43 111.321 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 78.0 mt -89.27 -8.04 54.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.939 0.348 . . . . 74.52 111.939 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m 67.79 58.81 0.48 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.096 0.558 . . . . 74.53 111.558 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.3 mm? -92.16 133.93 35.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.903 -0.589 . . . . 73.12 109.501 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -110.72 152.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.112 -0.329 . . . . 63.31 110.112 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.7 -134.77 4.88 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.238 -0.745 . . . . 63.55 111.238 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.08 149.56 6.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.168 0.484 . . . . 74.34 110.822 177.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.75 141.96 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 123.179 0.299 . . . . 72.34 110.344 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.694 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 8.8 t -152.25 162.09 41.65 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.849 0.718 . . . . 62.0 109.932 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.549 ' HB2' HG23 ' A' ' 119' ' ' ILE . 6.4 t30 -110.41 142.33 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 73.4 110.26 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -102.26 149.2 24.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.067 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.9 -24.21 62.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.216 0.531 . . . . 73.5 110.744 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.67 -4.11 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.348 -0.842 . . . . 73.01 111.748 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.86 45.59 7.12 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.072 -0.585 . . . . 64.4 112.017 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.438 ' HB3' HG22 ' A' ' 41' ' ' THR . 31.8 p -152.55 142.26 21.91 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 110.131 -0.322 . . . . 74.3 110.131 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.34 133.02 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.969 -0.382 . . . . 61.55 109.969 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -135.36 160.39 38.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 50.11 110.683 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.75 -165.78 38.26 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.205 -0.758 . . . . 53.55 111.205 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.54 HG22 ' SG ' ' A' ' 37' ' ' CYS . 34.8 t -140.69 138.53 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 117.057 0.428 . . . . 74.14 110.19 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.429 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 73.6 t -116.71 140.58 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.584 -0.525 . . . . 63.53 109.584 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.562 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 75.34 109.964 177.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.07 -152.36 22.24 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.016 -0.833 . . . . 73.2 111.016 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 31.1 Cg_endo -65.71 127.37 17.77 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.465 2.11 . . . . 73.32 111.502 176.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.56 -30.77 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.98 0.733 . . . . 71.14 112.98 -176.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 8.1 pt-20 -70.25 -45.9 65.52 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.616 0.246 . . . . 53.44 111.355 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.557 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.401 0.143 . . . . 73.41 110.83 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 89' ' ' VAL . 62.4 t -58.54 -45.48 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.322 -0.622 . . . . 73.43 109.322 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.38 -39.96 89.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 72.04 110.318 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.629 -0.714 . . . . 62.15 110.752 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.51 -35.81 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 72.11 109.83 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 85' ' ' VAL . 92.7 t -60.45 -47.32 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.093 -0.503 . . . . 71.34 109.961 173.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -47.03 76.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.827 -0.624 . . . . 73.32 109.724 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -60.35 -43.53 96.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.146 -0.934 . . . . 71.31 110.853 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 60.14 110.387 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -64.15 -35.06 79.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.225 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -85.98 -37.28 19.17 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 75.41 110.983 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.74 -128.44 26.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.301 -0.72 . . . . 31.54 111.301 -172.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.3 m -155.63 154.34 27.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.511 -0.552 . . . . 75.45 109.511 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -59.55 -11.85 15.43 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.034 2.489 . . . . 63.34 113.037 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -75.94 -26.16 56.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.625 -0.261 . . . . 75.23 111.105 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.423 ' HB2' ' HE2' ' A' ' 49' ' ' PHE . 50.0 m -150.37 137.03 19.04 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.833 0.349 . . . . 65.2 110.65 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.4 t -92.49 99.78 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 74.34 111.22 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.491 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 29.8 m -67.27 140.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 73.33 110.247 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.77 -57.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.385 . . . . 64.2 111.302 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -143.41 131.25 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.29 -0.413 . . . . 72.44 110.489 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.17 142.39 24.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.351 -0.386 . . . . 63.52 110.282 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.3 m -138.02 130.84 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.311 -0.626 . . . . 74.04 109.311 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.4 mm -116.78 157.18 17.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 109.986 -0.375 . . . . 72.12 109.986 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 85.5 t60 -133.2 144.51 49.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 121.226 0.536 . . . . 63.51 111.057 -177.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 7.62 0.94 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 116.082 1.882 . . . . 71.54 116.082 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 107' ' ' HIS . 66.1 p -58.12 141.5 50.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.9 0.773 . . . . 75.32 113.031 -158.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m -70.99 178.36 3.24 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.2 -0.909 . . . . 61.2 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -50.93 131.09 26.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.953 -0.567 . . . . 70.34 112.523 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.05 176.16 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.494 -0.776 . . . . 51.15 109.621 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -98.16 116.06 29.6 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.961 -0.385 . . . . 74.32 109.961 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.98 145.15 42.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.15 -0.477 . . . . 61.52 111.602 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.17 -47.71 1.75 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.073 -0.512 . . . . 74.33 110.96 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.96 148.65 4.84 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.663 -0.78 . . . . 52.42 113.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -95.42 112.13 23.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.239 -0.652 . . . . 64.33 109.239 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.8 pt-20 -162.67 126.2 2.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 71.34 110.369 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.549 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -70.4 86.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.776 0.798 . . . . 71.13 109.476 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.694 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.0 mtt180 -77.44 144.53 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.47 -1.241 . . . . 61.44 110.522 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.367 -0.825 . . . . 75.33 110.422 -177.423 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG21 ' NH2' ' A' ' 111' ' ' ARG . 39.8 t . . . . . 0 C--O 1.236 0.345 0 CA-C-O 121.422 0.63 . . . . 64.33 110.188 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' A' ' 82' ' ' LYS . 34.5 m -84.34 127.0 33.72 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.746 -1.116 . . . . 71.11 109.601 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -121.65 129.51 52.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.145 -0.317 . . . . 74.11 110.145 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.19 139.05 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.535 . . . . 70.33 109.674 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 51.1 t -90.91 135.42 33.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.051 -0.722 . . . . 71.23 109.051 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -111.94 146.43 37.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.298 . . . . 74.21 110.995 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -156.35 116.9 3.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 74.33 109.79 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HB ' HD11 ' A' ' 92' ' ' LEU . 12.6 p -123.89 145.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.32 . . . . 72.44 110.387 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.618 HG23 ' HB3' ' A' ' 102' ' ' LYS . 7.9 t -116.84 165.24 13.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.475 -0.565 . . . . 74.2 109.475 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.119 0 C-N-CA 120.651 -0.785 . . . . 41.4 113.703 -172.273 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 119' ' ' ILE . 6.3 m-30 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.667 0.27 . . . . 63.04 110.44 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 23.6 t80 -73.57 115.72 13.31 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-O 121.134 0.492 . . . . 70.11 110.445 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.8 tpt180 -65.97 75.25 0.08 Allowed 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.495 -1.23 . . . . 70.43 110.991 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.0 tttm 160.11 -50.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 124.763 1.225 . . . . 63.52 107.98 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.704 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 11.2 m-30 -62.04 -38.06 87.29 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.998 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 48' ' ' PHE . 36.6 m -59.91 -53.52 56.89 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.608 -0.437 . . . . 73.23 111.048 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -60.75 -49.61 76.81 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.955 -0.566 . . . . 52.34 109.76 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -57.74 -43.51 85.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.048 -0.524 . . . . 65.33 110.407 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.59 -55.27 36.63 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.128 0.489 . . . . 63.1 110.067 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -55.75 -47.65 76.61 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.263 -0.88 . . . . 74.43 110.684 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.48 -43.07 99.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 61.14 110.856 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.64 75.2 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.813 -0.631 . . . . 73.43 111.502 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 84' ' ' GLN . 4.2 mm? -85.76 -7.23 58.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.508 -0.315 . . . . 74.52 110.726 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 68.03 47.05 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.362 0.601 . . . . 74.53 111.704 174.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 57' ' ' ALA . 1.8 mm? -84.55 133.72 34.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.764 -0.653 . . . . 73.12 109.431 173.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 18.5 m -104.07 153.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.677 . . . . 63.31 109.171 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.24 -132.19 5.05 Favored Glycine 0 CA--C 1.511 -0.167 0 N-CA-C 111.342 -0.703 . . . . 63.55 111.342 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.12 150.46 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.132 0.466 . . . . 74.34 111.112 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.7 t -138.97 141.9 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 116.564 -0.289 . . . . 72.34 110.87 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.581 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -152.39 161.91 41.93 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.106 0.879 . . . . 62.0 110.356 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' A' ' 121' ' ' ARG . 3.9 t-20 -96.54 155.57 16.71 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.088 -0.338 . . . . 73.4 110.088 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 0.8 OUTLIER -114.94 163.22 15.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.553 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.51 -47.15 63.4 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.873 0.733 . . . . 73.5 112.114 -175.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.01 -17.56 64.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.134 -0.485 . . . . 73.01 111.505 -175.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.87 2.18 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.891 -1.283 . . . . 64.4 109.891 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' A' ' 69' ' ' ASN . 46.7 t -123.41 126.54 46.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.062 -0.569 . . . . 74.3 109.7 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.75 114.89 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.472 -0.566 . . . . 61.55 109.472 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.6 p -121.94 166.86 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.294 -0.412 . . . . 50.11 110.502 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.02 -162.31 35.84 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.141 -0.552 . . . . 53.55 111.978 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -138.18 136.71 44.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 109.735 -0.469 . . . . 74.14 109.735 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.53 HG13 ' HB3' ' A' ' 62' ' ' LEU . 58.1 t -120.89 133.41 67.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 O-C-N 123.621 0.575 . . . . 63.53 109.462 176.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -134.37 137.56 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.585 -0.524 . . . . 75.34 109.585 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -163.74 30.2 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.588 -0.605 . . . . 73.2 111.588 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 29.2 Cg_endo -62.41 130.75 31.22 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.148 1.899 . . . . 73.32 110.879 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HA ' ' HB ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -58.65 -19.85 42.78 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 117.032 -0.076 . . . . 71.14 111.174 -172.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.58 -52.25 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.328 0.585 . . . . 53.44 110.177 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.442 ' HG3' HD12 ' A' ' 60' ' ' LEU . 2.5 mp0 -74.87 -32.17 61.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.479 -0.782 . . . . 73.41 110.519 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 89' ' ' VAL . 94.3 t -61.65 -44.65 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.168 -0.679 . . . . 73.43 109.168 172.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 25.5 t0 -66.75 -31.1 71.53 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.912 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 84' ' ' GLN . . . -59.98 -45.68 91.9 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.47 0.652 . . . . 62.15 110.044 172.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.95 -34.49 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.428 -0.805 . . . . 72.11 109.438 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 85' ' ' VAL . 72.3 t -61.65 -40.75 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.113 -0.494 . . . . 71.34 110.586 174.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 55.2 mmtt -60.6 -49.54 77.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.966 -0.753 . . . . 73.32 108.966 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -58.6 -34.84 71.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.21 -0.904 . . . . 71.31 110.614 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.497 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -71.17 -40.93 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.293 -0.412 . . . . 60.14 110.139 -177.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -67.61 -30.26 69.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.121 -0.49 . . . . 73.34 110.796 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -85.58 -29.03 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 75.41 110.136 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.64 -152.35 31.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.556 -0.747 . . . . 31.54 111.938 -175.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.9 m -93.21 120.7 66.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.804 -0.813 . . . . 75.45 108.804 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.3 -14.56 20.44 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.998 2.465 . . . . 63.34 113.373 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -75.13 -26.35 59.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.893 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.3 m -111.5 172.3 6.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 65.2 110.817 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.07 112.78 41.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.433 -0.58 . . . . 74.34 109.433 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.9 m -74.47 138.71 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 73.33 110.75 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 41' ' ' THR . 54.3 tptt -89.43 -57.7 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.356 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -155.49 141.35 18.13 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.585 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.84 142.29 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 63.52 109.918 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -137.76 126.06 23.21 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.725 -0.472 . . . . 74.04 109.725 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.7 mm -116.51 154.06 18.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.655 -0.498 . . . . 72.12 109.655 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.1 t60 -133.81 147.22 51.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 63.51 110.682 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.47 0.94 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.4 m -59.99 129.93 44.23 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.36 0.6 . . . . 75.32 111.686 -167.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 m -78.06 178.4 7.55 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.116 -0.947 . . . . 61.2 111.836 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.425 ' NH2' HG21 ' A' ' 33' ' ' VAL . 25.6 ttm180 -42.62 129.13 4.12 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.015 0.822 . . . . 70.34 112.46 -176.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.21 175.99 8.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.189 -0.914 . . . . 51.15 109.79 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.31 121.01 22.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 74.32 110.465 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.49 40.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.134 -0.484 . . . . 61.52 111.475 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.75 -48.19 0.81 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.454 -0.339 . . . . 74.33 111.018 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.98 146.65 4.38 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.909 -0.662 . . . . 52.42 112.919 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.73 112.26 24.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.836 -0.431 . . . . 64.33 109.836 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.535 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.0 pt-20 -162.61 131.56 4.17 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.047 0.451 . . . . 71.34 110.208 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 21.9 mm -68.03 86.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.382 0.61 . . . . 71.13 109.971 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.581 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 57.8 mtt180 -81.54 138.21 35.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.979 -1.009 . . . . 61.44 110.435 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 68' ' ' ASN . 34.8 mtp-105 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.44 -0.79 . . . . 75.33 109.478 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.207 0.527 . . . . 64.33 109.714 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.456 ' HB ' HG21 ' A' ' 85' ' ' VAL . 35.5 m -83.45 125.47 31.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.549 -0.75 . . . . 71.11 110.456 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -119.07 128.8 54.67 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.628 -0.508 . . . . 74.11 109.628 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.77 134.94 25.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 70.33 109.52 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 58.0 m -89.65 134.63 34.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.706 -0.479 . . . . 71.23 109.706 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.9 m-85 -111.66 140.55 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 74.21 111.613 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 76.9 ttt180 -149.22 120.31 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.674 -0.693 . . . . 74.33 109.674 166.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.3 p -121.55 143.85 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.399 -0.593 . . . . 72.44 109.399 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 30.0 p -104.48 150.47 24.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.039 -0.528 . . . . 74.2 109.703 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.179 0 C-N-CA 120.711 -0.757 . . . . 41.4 111.729 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' HB3' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.335 0 N-CA-C 109.9 -0.407 . . . . 63.04 109.9 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.14 116.45 29.36 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.312 0.577 . . . . 70.11 111.654 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 2.9 tpp180 -48.05 -43.74 30.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.739 -1.119 . . . . 70.43 111.594 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -50.53 -60.85 2.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.07 -0.514 . . . . 63.52 111.42 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -69.4 -35.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.618 . . . . 73.2 111.074 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -58.44 -53.79 54.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.947 0.403 . . . . 73.23 110.524 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -69.93 -35.28 74.43 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.7 -178.257 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 61.9 tttp -58.6 -52.26 66.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.074 0.464 . . . . 65.33 110.048 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.68 -55.42 20.17 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.511 -0.768 . . . . 63.1 110.371 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -60.82 -38.53 85.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.486 -0.779 . . . . 74.43 111.779 -175.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 -40.42 65.11 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.817 0.342 . . . . 61.14 110.306 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.01 82.96 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.956 -0.565 . . . . 73.43 111.472 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 84' ' ' GLN . 3.3 mm? -92.94 -12.34 31.09 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.459 -0.337 . . . . 74.52 111.303 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.6 t 67.25 61.77 0.47 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.289 0.635 . . . . 74.53 111.433 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -93.65 149.28 21.36 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.801 -0.636 . . . . 73.12 109.692 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.7 m -123.8 164.43 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 63.31 110.013 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.75 -126.45 2.88 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 111.268 -0.733 . . . . 63.55 111.268 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.663 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.11 144.24 4.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.076 0.438 . . . . 74.34 111.051 176.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 117' ' ' PHE . 8.6 t -138.76 137.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.796 -0.638 . . . . 72.34 110.146 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.714 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.0 t -141.31 161.71 37.23 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.245 0.966 . . . . 62.0 109.534 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 74' ' ' VAL . 2.7 t30 -117.26 126.94 53.55 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.879 -0.415 . . . . 73.4 109.879 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -87.82 146.71 25.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 74.0 110.888 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.91 -30.9 64.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.04 -0.527 . . . . 73.5 111.093 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.24 -12.98 57.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.962 -0.563 . . . . 73.01 111.01 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.09 50.57 2.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 64.4 111.709 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 t -149.15 131.65 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.774 -0.454 . . . . 74.3 109.774 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 23.6 t -92.67 132.76 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 p -139.52 151.23 45.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 50.11 110.936 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 65' ' ' TYR . . . 169.89 -160.28 33.22 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.757 -0.537 . . . . 53.55 111.757 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.5 t -140.5 143.67 28.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 109.988 -0.375 . . . . 74.14 109.988 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.93 144.19 24.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 109.724 -0.473 . . . . 63.53 109.724 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB2' HG23 ' A' ' 63' ' ' VAL . 3.2 mt-30 -141.1 130.66 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.271 -0.641 . . . . 75.34 109.271 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.37 -174.08 37.05 Favored Glycine 0 CA--C 1.516 0.142 0 C-N-CA 120.986 -0.626 . . . . 73.2 112.134 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -59.89 139.02 86.09 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.581 2.187 . . . . 73.32 112.005 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -52.7 -33.13 46.21 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.653 0.612 . . . . 71.14 112.653 -173.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.1 pt-20 -70.27 -42.14 72.51 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.888 0.375 . . . . 53.44 110.726 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.522 ' HG3' HD12 ' A' ' 60' ' ' LEU . 1.7 mp0 -71.26 -37.83 71.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.298 -0.41 . . . . 73.41 110.365 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG21 ' HB ' ' A' ' 34' ' ' THR . 88.8 t -63.05 -36.59 76.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.691 -0.485 . . . . 73.43 109.691 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HA ' HG12 ' A' ' 89' ' ' VAL . 26.1 t70 -65.08 -40.97 95.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.705 -0.68 . . . . 72.04 109.98 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.05 81.67 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.065 0.459 . . . . 62.15 110.434 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -66.56 -47.39 72.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.417 -0.81 . . . . 72.11 111.258 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 86' ' ' ASP . 7.4 p -67.18 -36.16 76.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.397 0.618 . . . . 71.34 110.594 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.526 -0.761 . . . . 73.32 109.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.08 -40.02 86.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.546 -0.752 . . . . 71.31 109.875 170.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.427 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -59.59 -38.73 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 60.14 109.977 -179.056 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -62.64 -23.9 67.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.103 -0.499 . . . . 73.34 111.294 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -85.12 -34.13 22.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.212 0.53 . . . . 75.41 109.593 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.46 -93.23 0.29 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.283 -0.871 . . . . 31.54 111.858 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -160.54 133.71 4.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.187 -0.672 . . . . 75.45 109.187 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.34 9.32 0.41 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 122.712 2.275 . . . . 63.34 113.103 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -107.8 -0.71 21.47 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.672 0.389 . . . . 75.23 110.852 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -156.72 -176.0 5.73 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.432 -0.349 . . . . 65.2 110.089 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.55 134.73 58.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.298 -0.41 . . . . 74.34 110.142 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.85 145.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 73.33 111.005 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 21.8 ttmm -87.77 -57.46 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 64.2 109.476 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -158.07 134.52 9.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.909 -0.587 . . . . 72.44 110.705 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.34 139.48 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.028 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -137.74 124.68 21.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 74.04 110.38 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.7 mm -117.96 145.56 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.469 -0.332 . . . . 72.12 110.331 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 57.9 m170 -122.2 152.38 40.03 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.912 0.387 . . . . 63.51 110.952 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.48 5.85 11.8 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.787 1.235 . . . . 71.54 113.786 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.704 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.4 m -59.31 131.67 51.71 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.156 0.503 . . . . 75.32 111.667 -167.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 p -71.23 178.54 3.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.134 -0.939 . . . . 61.2 112.009 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -47.62 125.34 8.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.809 -0.632 . . . . 70.34 112.683 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.42 176.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.003 -0.999 . . . . 51.15 109.027 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.04 133.23 41.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.976 0.417 . . . . 74.32 110.257 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.39 139.82 54.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.429 -0.805 . . . . 61.52 112.315 -172.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.663 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 14.3 t70 -109.91 -48.72 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.033 -0.729 . . . . 74.33 109.033 176.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 147.68 139.91 3.3 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.537 -0.756 . . . . 52.42 112.478 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CD1' HG23 ' A' ' 66' ' ' VAL . 24.7 m-85 -82.2 112.13 18.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.652 -0.87 . . . . 64.33 108.652 171.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -159.94 121.21 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.094 0.474 . . . . 71.34 110.753 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.411 HG23 ' HB2' ' A' ' 68' ' ' ASN . 22.3 mm -63.35 87.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.441 0.639 . . . . 71.13 109.869 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.714 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 14.0 mtt-85 -65.56 131.09 45.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 61.44 111.421 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 114.935 -1.03 . . . . 75.33 109.645 -175.374 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.236 0.365 0 CA-C-O 121.13 0.491 . . . . 64.33 110.173 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 m -82.05 150.92 27.31 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.535 -0.757 . . . . 71.11 109.656 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -142.05 128.55 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 74.11 110.327 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -139.94 136.93 34.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 70.33 109.417 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.736 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 83.3 m -87.49 135.01 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.907 -0.405 . . . . 71.23 109.907 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.8 143.39 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.127 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -154.27 110.99 3.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.079 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -111.84 145.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.464 -0.569 . . . . 72.44 109.464 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 73' ' ' SER . 7.5 p -99.76 134.17 43.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.604 -0.517 . . . . 74.2 109.604 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.159 0 C-N-CA 121.004 -0.617 . . . . 41.4 112.654 -175.616 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' HB2' HG21 ' A' ' 74' ' ' VAL . 10.1 t80 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.554 -0.535 . . . . 63.04 109.554 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -62.52 84.31 0.02 OUTLIER 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.676 0.621 . . . . 70.11 112.676 -176.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HE ' ' HB ' ' A' ' 119' ' ' ILE . 91.6 mtt180 -50.17 -41.05 48.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.294 -0.866 . . . . 70.43 111.826 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -53.9 -54.71 34.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.275 0.56 . . . . 63.52 111.056 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.98 -38.05 79.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.432 -0.804 . . . . 73.2 110.378 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -61.17 -41.13 96.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.009 0.433 . . . . 73.23 110.527 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.35 -51.87 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.24 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -56.44 -50.09 72.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.967 -0.56 . . . . 65.33 110.719 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.93 -56.99 14.88 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.534 -0.757 . . . . 63.1 110.573 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -61.88 -41.95 98.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 74.43 111.371 -175.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.35 -42.8 82.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.732 0.301 . . . . 61.14 110.86 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.01 68.9 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.229 -0.441 . . . . 73.43 111.019 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.485 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.4 mm? -80.17 -12.71 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.411 -0.358 . . . . 74.52 110.633 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 68.59 48.67 0.79 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.017 -0.538 . . . . 74.53 111.707 174.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.7 mm? -84.73 133.88 34.36 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.777 -0.453 . . . . 73.12 109.777 173.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 79' ' ' GLN . 20.0 m -111.4 163.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.227 -0.657 . . . . 63.31 109.227 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.11 -129.39 4.05 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.667 -0.973 . . . . 63.55 110.667 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 149.67 5.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.218 0.509 . . . . 74.34 110.926 177.281 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -139.32 149.39 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.973 -0.381 . . . . 72.34 109.973 175.19 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.7 t -161.69 161.83 29.58 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.899 0.749 . . . . 62.0 110.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . 56.8 t30 -95.76 164.49 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.419 -0.586 . . . . 73.4 109.419 174.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.96 153.26 49.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 74.0 109.114 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.87 -12.13 16.2 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.842 0.353 . . . . 73.5 111.07 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.21 -19.47 65.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.575 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.51 43.73 6.07 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.52 -1.032 . . . . 64.4 110.52 -171.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.493 ' HB3' HG22 ' A' ' 41' ' ' THR . 63.8 p -151.05 133.54 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.722 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 68' ' ' ASN . 59.4 t -92.57 115.0 30.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.37 -0.604 . . . . 61.55 109.37 177.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 p -115.17 156.96 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 50.11 110.685 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.95 -165.62 36.34 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.256 -0.497 . . . . 53.55 112.266 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.63 135.51 34.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 122.919 0.488 . . . . 74.14 109.954 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.24 136.53 49.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 124.011 0.819 . . . . 63.53 110.06 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 63' ' ' VAL . 35.0 mt-30 -132.54 151.72 51.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.04 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.91 -170.27 24.59 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.402 -0.679 . . . . 73.2 111.402 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.4 Cg_endo -57.34 138.75 87.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.332 2.022 . . . . 73.32 111.339 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.559 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -52.87 -33.06 48.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.411 0.522 . . . . 71.14 112.411 -173.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.559 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 9.5 pt-20 -70.02 -34.18 72.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.989 0.424 . . . . 53.44 110.937 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.518 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.9 mp0 -74.93 -43.11 55.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 73.41 110.428 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.29 -39.86 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 28.4 t70 -60.8 -42.29 97.31 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 115.241 -0.891 . . . . 72.04 110.412 174.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.43 81.41 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.17 0.51 . . . . 62.15 110.28 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -66.95 -38.53 86.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.647 -0.706 . . . . 72.11 111.181 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 86' ' ' ASP . 6.7 p -68.62 -38.07 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.955 -0.298 . . . . 71.34 110.513 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 74.8 mmtt -60.64 -47.44 86.22 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.835 -0.802 . . . . 73.32 108.835 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.32 -38.96 72.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.952 -1.022 . . . . 71.31 110.798 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -37.41 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 60.14 110.194 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.444 ' HD2' ' O ' ' A' ' 89' ' ' VAL . 16.2 m-70 -71.51 -23.48 61.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.318 -0.401 . . . . 73.34 110.437 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 11.3 mmmm -65.8 -42.38 90.76 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.04 0.448 . . . . 75.41 110.071 176.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.38 176.26 46.65 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.592 -0.731 . . . . 31.54 112.537 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 99' ' ' SER . 38.3 m -79.6 154.11 76.1 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 75.45 110.469 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.54 -54.56 5.15 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.045 2.497 . . . . 63.34 113.186 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.417 ' HB2' ' HZ3' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -120.99 -26.52 5.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.534 -0.303 . . . . 75.23 111.016 -177.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 96' ' ' SER . 10.1 m -70.84 78.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.86 -0.793 . . . . 65.2 108.86 172.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.41 140.17 13.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.349 -0.842 . . . . 74.34 111.494 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.53 139.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.808 -0.633 . . . . 73.33 110.148 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -82.9 -51.21 7.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 64.2 110.034 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -166.64 144.39 5.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.883 -0.599 . . . . 72.44 110.018 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.28 144.44 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.024 -0.361 . . . . 63.52 110.024 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.0 m -137.98 129.21 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.136 -0.69 . . . . 74.04 109.136 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.92 152.68 24.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 109.833 -0.432 . . . . 72.12 109.833 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 4.9 t60 -135.08 145.88 48.37 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.21 0.529 . . . . 63.51 111.4 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.42 6.5 2.92 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.867 1.267 . . . . 71.54 114.346 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.736 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 53.2 m -59.88 138.04 57.91 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.417 0.627 . . . . 75.32 112.176 -167.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.6 p -76.03 178.56 6.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.788 -1.097 . . . . 61.2 112.068 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -50.5 124.18 10.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.671 -0.695 . . . . 70.34 112.165 -173.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -112.09 175.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.963 -0.754 . . . . 51.15 108.963 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.3 126.93 37.59 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.763 -0.458 . . . . 74.32 109.763 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.52 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 61.52 112.544 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.546 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 23.0 m-20 -115.23 -56.36 2.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.701 -0.681 . . . . 74.33 109.914 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.463 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.57 149.18 5.0 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.783 -0.644 . . . . 52.42 112.414 -176.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.475 ' CD2' ' HB ' ' A' ' 66' ' ' VAL . 54.5 m-85 -91.63 111.74 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.657 -0.32 . . . . 64.33 110.363 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 12.6 pt-20 -162.82 135.86 5.76 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 110.333 -0.247 . . . . 71.34 110.333 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.476 HG23 ' HB2' ' A' ' 68' ' ' ASN . 40.2 mm -72.33 86.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.438 0.637 . . . . 71.13 110.341 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.539 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 93.5 mtt180 -83.88 144.45 29.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 61.44 109.97 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.399 -0.81 . . . . 75.33 110.261 -177.444 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 109.849 -0.426 . . . . 64.33 109.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -84.87 135.27 34.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.435 -0.58 . . . . 71.11 109.435 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 79' ' ' GLN . 95.2 m -142.99 133.75 25.29 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.401 -0.222 . . . . 74.11 110.401 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' A' ' 106' ' ' ILE . 4.9 mp -147.51 140.56 25.07 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.067 -0.515 . . . . 70.33 110.494 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 59.3 m -81.87 140.32 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 71.23 110.299 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -112.32 141.18 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.391 . . . . 74.21 111.177 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' A' ' 105' ' ' SER . 9.3 ttp180 -147.41 110.77 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 74.33 109.096 172.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.86 149.2 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.737 0.303 . . . . 72.44 110.773 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 12.8 p -106.69 135.32 48.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.343 -0.389 . . . . 74.2 110.703 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.411 0 C-N-CA 121.113 -0.565 . . . . 41.4 112.113 179.155 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HD2' HD11 ' A' ' 119' ' ' ILE . 44.4 t80 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 107.852 -1.166 . . . . 63.04 107.852 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 48.3 m-85 -59.68 91.56 0.02 OUTLIER 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.591 0.589 . . . . 70.11 112.591 -172.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.555 ' HB3' HG12 ' A' ' 119' ' ' ILE . 14.4 ptm180 -54.48 -26.44 31.37 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.192 -0.913 . . . . 70.43 110.621 173.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -45.34 84.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.744 0.306 . . . . 63.52 110.274 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -74.05 -34.73 64.16 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.059 -0.348 . . . . 73.2 110.059 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -60.84 -39.35 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 73.23 110.024 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 9.0 mtpm? -71.4 -38.24 71.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.065 -0.516 . . . . 52.34 110.951 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.81 -52.17 66.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 65.33 109.921 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -59.68 -57.21 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.287 -0.869 . . . . 63.1 110.544 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -58.13 -45.41 87.4 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.298 -0.865 . . . . 74.43 111.641 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.69 -44.27 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.767 0.318 . . . . 61.14 111.262 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.67 88.22 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.104 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -83.41 -11.71 57.26 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.022 -0.535 . . . . 74.52 110.745 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 67.82 46.93 1.19 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.243 0.617 . . . . 74.53 112.121 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.24 138.63 33.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.827 -0.624 . . . . 73.12 109.417 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 79' ' ' GLN . 33.2 m -111.6 158.84 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.022 -0.732 . . . . 63.31 109.022 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.64 -141.48 9.8 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 110.84 -0.904 . . . . 63.55 110.84 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.03 147.33 5.57 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.301 0.55 . . . . 74.34 111.572 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.8 148.54 24.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.952 -0.567 . . . . 72.34 109.631 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -157.29 161.85 39.15 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 124.216 0.948 . . . . 62.0 109.709 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.1 t-20 -107.25 130.57 54.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.072 0.463 . . . . 73.4 110.937 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.36 155.53 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 74.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.94 -24.65 39.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.772 0.429 . . . . 73.5 111.711 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.47 -11.06 59.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.28 -0.418 . . . . 73.01 111.58 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.73 21.13 48.47 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.341 -0.704 . . . . 64.4 111.341 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 p -112.08 138.66 48.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.858 -0.423 . . . . 74.3 109.858 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.95 121.22 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.652 -0.499 . . . . 61.55 109.652 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -124.27 164.32 19.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.691 0.282 . . . . 50.11 111.022 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.66 -161.14 34.36 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.193 -0.458 . . . . 53.55 112.183 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.68 140.61 33.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 122.694 0.397 . . . . 74.14 110.058 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.02 141.15 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.823 -0.436 . . . . 63.53 109.823 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.4 mt-30 -142.07 131.27 23.4 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.51 -0.552 . . . . 75.34 109.51 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.4 -169.87 37.03 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 111.826 -0.51 . . . . 73.2 111.826 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.505 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 30.1 Cg_endo -63.8 141.12 77.22 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.465 2.11 . . . . 73.32 111.221 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -27.26 57.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.366 0.266 . . . . 71.14 111.591 -173.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 63.6 mm-40 -64.44 -49.37 71.73 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.887 0.851 . . . . 53.44 110.392 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.505 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.4 mp0 -75.05 -31.02 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.094 -0.957 . . . . 73.41 110.618 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.155 -0.683 . . . . 73.43 109.155 173.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 83' ' ' GLU . 19.1 t70 -59.73 -48.34 82.06 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.565 -0.743 . . . . 72.04 110.052 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.86 63.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.777 -0.647 . . . . 62.15 110.681 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.2 t80 -66.57 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.234 -0.894 . . . . 72.11 111.263 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.4 p -64.85 -35.25 74.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.915 0.388 . . . . 71.34 110.425 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.47 -37.36 77.26 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.331 -0.395 . . . . 73.32 110.445 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.46 -40.79 92.49 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.33 -0.619 . . . . 71.31 109.33 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -36.72 84.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.562 -0.745 . . . . 60.14 110.285 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.65 -29.17 67.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.297 -0.411 . . . . 73.34 110.16 176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.599 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.7 tpmt? -80.02 -37.32 34.33 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.829 -0.623 . . . . 75.41 109.892 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.86 -117.81 4.58 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.485 -0.779 . . . . 31.54 112.203 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -126.42 144.73 50.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.573 -0.528 . . . . 75.45 109.573 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.29 -15.43 49.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.972 1.782 . . . . 63.34 111.397 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 57.3 tptt -97.57 -26.63 14.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.107 -0.497 . . . . 75.23 110.888 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 p -142.67 129.57 20.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 65.2 110.993 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.6 t -87.11 152.63 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.061 -0.518 . . . . 74.34 109.831 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.12 131.55 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.98 0.419 . . . . 73.33 110.659 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 62.7 tttm -77.41 -51.1 11.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.643 -0.873 . . . . 64.2 108.643 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -162.91 148.51 12.01 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.111 -0.95 . . . . 72.44 109.467 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.26 143.83 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.52 110.398 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.408 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 37.7 m -133.53 126.97 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 74.04 109.66 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 36' ' ' LEU . 12.1 mm -117.72 155.93 19.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 16.7 t60 -137.79 144.75 41.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.361 . . . . 63.51 110.734 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.37 6.46 1.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.11 1.522 . . . . 71.54 115.11 -170.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.593 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.64 133.49 56.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.581 0.628 . . . . 75.32 112.125 -167.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.1 p -69.43 178.32 2.49 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.189 -0.914 . . . . 61.2 112.504 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.427 ' HG3' HE21 ' A' ' 79' ' ' GLN . 45.1 ttp180 -52.82 138.2 30.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.723 . . . . 70.34 111.838 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.72 176.16 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.712 -0.676 . . . . 51.15 110.506 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.99 124.53 24.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.003 -0.544 . . . . 74.32 110.023 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 61.52 111.043 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 22.9 t70 -140.72 -51.72 0.47 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.915 -0.584 . . . . 74.33 110.404 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.98 141.32 3.33 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.044 -0.526 . . . . 52.42 112.564 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.38 112.61 21.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.504 -0.554 . . . . 64.33 109.504 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 14.9 pt-20 -156.29 169.67 24.03 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.386 -0.525 . . . . 71.34 110.56 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.609 HG23 ' HB2' ' A' ' 68' ' ' ASN . 36.6 mm -102.59 86.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.268 0.556 . . . . 71.13 110.172 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.489 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.9 mtt180 -87.4 144.24 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.78 -1.1 . . . . 61.44 109.794 175.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.292 -0.861 . . . . 75.33 109.846 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.643 0.259 . . . . 64.33 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 m -92.92 141.59 28.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.611 -0.515 . . . . 71.11 109.611 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.1 m -143.74 137.45 28.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.741 0.305 . . . . 74.11 110.779 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.09 140.98 29.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 70.33 109.339 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 43.6 t -91.29 136.68 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.422 -0.584 . . . . 71.23 109.422 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.54 141.63 44.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 74.21 110.756 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -150.38 110.42 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.454 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 104' ' ' VAL . 14.5 p -107.6 147.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 72.44 109.985 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.0 p -116.96 117.15 28.89 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.856 -0.794 . . . . 74.2 108.856 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.527 -0.844 . . . . 41.4 113.383 -174.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' HB3' ' CD1' ' A' ' 119' ' ' ILE . 35.7 t80 . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 108.22 -1.03 . . . . 63.04 108.22 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -54.35 97.09 0.02 OUTLIER 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.191 0.812 . . . . 70.11 113.191 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.737 ' HD3' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mmm180 -55.63 -29.19 58.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.114 -0.948 . . . . 70.43 111.086 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.63 -50.63 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 63.52 110.803 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.18 -32.02 49.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.843 -0.617 . . . . 73.2 110.524 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -61.45 -47.88 83.7 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.078 0.466 . . . . 73.23 110.009 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -62.74 -48.27 79.92 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.388 -0.824 . . . . 52.34 110.104 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 1.6 tmtm? -52.53 -51.7 58.36 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.31 -0.405 . . . . 65.33 110.48 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 4.5 tp10 -63.02 -58.61 6.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.939 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.496 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -63.59 -44.66 93.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.741 -0.663 . . . . 74.43 111.49 -175.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.59 -37.62 85.28 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.348 -0.387 . . . . 61.14 111.149 -177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.14 66.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.71 0.29 . . . . 73.43 111.475 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.8 -4.67 54.64 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.194 0.442 . . . . 74.52 112.194 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m 68.26 49.11 0.85 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.26 0.467 . . . . 74.53 112.26 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' HB3' HG13 ' A' ' 78' ' ' VAL . 2.8 mm? -97.89 133.7 42.02 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.762 -0.829 . . . . 73.12 108.762 168.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 79' ' ' GLN . 34.0 m -123.28 172.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.853 -0.425 . . . . 63.31 109.853 176.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 143.78 -120.98 1.56 Allowed Glycine 0 C--O 1.236 0.256 0 N-CA-C 111.163 -0.775 . . . . 63.55 111.163 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.589 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 150.66 6.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.089 0.444 . . . . 74.34 111.447 176.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.03 146.0 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 116.503 -0.317 . . . . 72.34 110.942 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -155.18 161.81 41.11 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.754 0.822 . . . . 62.0 109.178 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.639 ' HB2' HG23 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -122.54 115.66 22.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.842 0.353 . . . . 73.4 110.594 -175.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.53 149.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 74.0 109.969 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.85 -38.93 52.05 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.284 0.476 . . . . 73.5 112.284 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.02 -19.83 62.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.568 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.54 -27.6 4.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 64.4 112.852 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -63.58 131.45 48.09 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.701 0.286 . . . . 74.3 110.824 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.508 ' HB ' HG12 ' A' ' 40' ' ' VAL . 36.2 t -103.36 132.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.263 -0.643 . . . . 61.55 109.263 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 p -130.64 152.78 49.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 50.11 110.759 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.51 -167.46 39.4 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.951 -0.568 . . . . 53.55 111.828 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 45.9 t -140.11 138.06 37.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 110.104 -0.332 . . . . 74.14 110.104 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 62' ' ' LEU . 75.0 t -116.44 137.82 48.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 O-C-N 123.703 0.627 . . . . 63.53 109.88 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.605 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.9 pt20 -142.55 127.34 18.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 75.34 109.942 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.99 -143.68 8.21 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.353 -0.699 . . . . 73.2 111.353 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.14 129.77 8.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.641 2.227 . . . . 73.32 111.296 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.46 -35.14 5.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.054 0.761 . . . . 71.14 113.054 -176.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 5.4 pt-20 -70.63 -44.2 67.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 53.44 111.394 -178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.412 ' HB3' HD21 ' A' ' 62' ' ' LEU . 2.2 mp0 -70.8 -34.3 71.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 73.41 110.39 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 89' ' ' VAL . 85.1 t -59.35 -45.75 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 109.192 -0.67 . . . . 73.43 109.192 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.46 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 8.6 t70 -55.0 -49.76 70.7 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.517 -0.765 . . . . 72.04 109.966 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.14 -39.0 66.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.526 -0.761 . . . . 62.15 111.036 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -70.53 -34.3 72.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 72.11 110.122 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.3 t -61.06 -43.66 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 121.245 0.545 . . . . 71.34 109.763 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.97 -38.79 92.54 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.68 -0.691 . . . . 73.32 110.283 177.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -59.78 -44.42 93.9 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.155 0.502 . . . . 71.31 109.735 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.521 HD12 ' HB ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -62.47 -35.61 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.557 -0.747 . . . . 60.14 110.663 178.227 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -73.0 -21.71 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 73.34 110.792 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 34.2 mmtp -83.12 -33.68 26.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.804 0.335 . . . . 75.41 110.118 175.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.13 -132.1 20.99 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.927 -0.579 . . . . 31.54 112.199 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.7 p -160.79 148.74 12.7 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 109.986 -0.376 . . . . 75.45 109.986 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.13 -55.78 0.88 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 124.519 3.479 . . . . 63.34 114.831 -173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -99.49 15.25 27.08 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.874 0.324 . . . . 75.23 111.874 -172.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -124.68 92.99 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.102 -0.703 . . . . 65.2 109.102 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.8 91.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 121.54 0.686 . . . . 74.34 110.591 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.459 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 27.0 m -69.09 143.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.873 -1.058 . . . . 73.33 111.0 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.39 -56.83 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 64.2 110.512 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -147.22 128.45 14.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.274 -0.421 . . . . 72.44 110.809 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.591 HG22 HG23 ' A' ' 40' ' ' VAL . 34.9 t -98.25 147.83 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.529 -0.545 . . . . 63.52 109.529 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -137.94 126.43 23.44 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 74.04 109.889 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 mm -112.65 152.21 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.757 -0.46 . . . . 72.12 109.757 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 33.4 t-80 -133.17 149.06 52.07 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.974 0.416 . . . . 63.51 110.918 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.43 6.08 1.53 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.066 1.506 . . . . 71.54 115.066 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -59.44 139.18 57.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.18 0.514 . . . . 75.32 112.367 -166.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.5 p -75.09 178.57 5.58 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.881 -1.054 . . . . 61.2 111.983 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 7.3 tmm_? -56.9 143.32 38.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.099 -0.501 . . . . 70.34 111.081 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.442 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 27.5 m -135.4 176.28 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 51.15 110.988 -171.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.55 122.09 28.09 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.488 -0.56 . . . . 74.32 109.488 171.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.7 127.09 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 61.52 110.952 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.589 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 21.3 t70 -101.62 -49.62 3.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.017 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.37 144.14 4.14 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.904 -0.589 . . . . 52.42 112.696 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.48 112.03 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.133 -0.692 . . . . 64.33 109.133 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.737 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 10.8 pt-20 -162.68 133.52 4.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.187 0.518 . . . . 71.34 111.064 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.639 HG23 ' HB2' ' A' ' 68' ' ' ASN . 42.5 mm -72.35 86.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.555 0.693 . . . . 71.13 110.839 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.524 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.1 mtt180 -84.43 141.1 31.06 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.082 -0.963 . . . . 61.44 110.363 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.472 -0.785 . . . . 75.33 109.854 -179.458 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.514 -0.418 0 N-CA-C 107.843 -1.169 . . . . 64.33 107.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -76.16 111.62 11.77 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.622 -0.717 . . . . 71.11 110.295 -167.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.541 HG23 ' HG2' ' A' ' 79' ' ' GLN . 58.7 m -114.82 133.63 55.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.02 -0.991 . . . . 74.11 109.872 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -139.32 132.19 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 70.33 109.517 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 42.1 t -88.02 133.81 33.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.431 -0.581 . . . . 71.23 109.431 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.44 148.76 32.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.998 0.427 . . . . 74.21 110.925 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -151.62 113.76 4.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.203 -0.908 . . . . 74.33 109.09 171.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.56 136.08 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.421 -0.585 . . . . 72.44 109.421 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 73' ' ' SER . 18.9 p -102.52 150.82 23.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.45 -0.574 . . . . 74.2 109.45 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 C-N-CA 121.014 -0.612 . . . . 41.4 111.839 179.296 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HB2' HG21 ' A' ' 74' ' ' VAL . 17.7 t80 . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.759 0.314 . . . . 63.04 110.835 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.7 84.32 0.07 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.905 0.859 . . . . 70.11 112.567 -178.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.481 ' HB3' HG12 ' A' ' 119' ' ' ILE . 11.4 ptp85 -52.21 -39.54 60.34 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 114.29 -1.323 . . . . 70.43 112.026 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 31.6 mmtp -61.44 -57.86 10.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.039 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -30.42 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 73.2 110.516 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 m -57.85 -51.27 70.28 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.515 0.674 . . . . 73.23 110.091 172.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -65.23 -33.26 75.57 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.232 -0.895 . . . . 52.34 110.386 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.11 -48.35 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 65.33 110.483 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -56.66 -53.73 54.31 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 121.39 0.614 . . . . 63.1 109.613 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.426 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -56.92 -47.85 79.63 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.19 -0.914 . . . . 74.43 111.283 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -66.44 -32.92 74.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.424 -0.353 . . . . 61.14 111.066 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.47 -47.34 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.144 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -99.68 4.67 45.68 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.228 0.455 . . . . 74.52 112.228 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t 68.16 38.81 2.53 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.086 0.555 . . . . 74.53 111.571 171.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.83 133.73 35.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.029 -0.73 . . . . 73.12 109.029 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 79' ' ' GLN . 32.6 m -109.27 166.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.539 -0.541 . . . . 63.31 109.539 175.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.93 -139.35 8.65 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.934 -0.867 . . . . 63.55 110.934 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.33 157.89 11.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.776 0.288 . . . . 74.34 110.679 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.78 143.87 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.535 -0.302 . . . . 72.34 110.273 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.498 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.2 t -151.69 161.76 42.14 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.128 0.893 . . . . 62.0 110.308 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.506 ' HB2' HG23 ' A' ' 119' ' ' ILE . 23.0 t-20 -96.37 156.2 16.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.891 -0.411 . . . . 73.4 109.891 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -125.46 160.38 29.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.383 -0.371 . . . . 74.0 110.515 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.15 -12.13 47.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.976 -0.556 . . . . 73.5 111.039 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HB2' ' OG ' ' A' ' 73' ' ' SER . 3.0 m-20 -65.22 -15.63 62.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.347 174.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.99 19.53 61.0 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.226 -1.15 . . . . 64.4 110.226 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.634 ' HB3' HG22 ' A' ' 41' ' ' THR . 46.9 p -115.15 166.47 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.058 -0.571 . . . . 74.3 110.479 -176.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 48' ' ' PHE . 97.7 t -117.01 115.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.168 -0.679 . . . . 61.55 109.168 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -120.32 148.53 43.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.199 -0.455 . . . . 50.11 110.44 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.94 23.42 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.314 -0.714 . . . . 53.55 111.314 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -140.08 136.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.398 . . . . 74.14 109.927 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -112.13 141.6 27.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 108.97 -0.752 . . . . 63.53 108.97 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.1 mt-30 -141.02 125.89 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.687 -0.486 . . . . 75.34 109.687 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.68 -164.87 36.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 120.9 -0.667 . . . . 73.2 111.967 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 28.6 Cg_endo -63.64 135.66 50.1 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.62 2.213 . . . . 73.32 111.548 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -29.89 43.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.43 -0.35 . . . . 71.14 111.907 -172.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.03 -50.48 55.16 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.451 -0.341 . . . . 53.44 111.062 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -67.27 -31.29 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 73.41 110.254 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.07 -39.72 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.935 0.398 . . . . 73.43 110.016 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 89' ' ' VAL . 17.8 t70 -62.55 -36.97 84.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 72.04 109.629 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.58 ' O ' ' HE3' ' A' ' 90' ' ' LYS . . . -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.778 -0.646 . . . . 62.15 110.448 174.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.426 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.3 t80 -65.68 -47.11 76.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.387 -0.369 . . . . 72.11 110.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 86' ' ' ASP . 8.2 p -64.73 -34.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.407 -0.361 . . . . 71.34 110.289 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -53.38 -49.12 67.88 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 172.015 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.32 -43.94 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 71.31 110.925 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.8 95.16 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.335 -177.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -66.6 -8.7 28.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.105 -0.498 . . . . 73.34 111.924 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.38 -32.54 24.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 75.41 109.94 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.09 179.36 21.31 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.658 -0.701 . . . . 31.54 113.012 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.486 ' OG ' ' HB2' ' A' ' 99' ' ' SER . 3.8 p -75.28 141.08 73.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 122.282 0.233 . . . . 75.45 110.517 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 31.2 Cg_exo -59.56 -55.85 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.937 2.425 . . . . 63.34 113.364 -173.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -94.93 -17.85 21.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.544 -0.298 . . . . 75.23 111.768 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.486 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 10.4 m -100.23 127.48 46.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.456 -0.338 . . . . 65.2 110.396 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.49 136.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.385 0.612 . . . . 74.34 110.687 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.65 149.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.723 -1.126 . . . . 73.33 109.965 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 tppp? -93.4 -54.71 3.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 64.2 110.352 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -162.06 144.83 11.61 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.283 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -113.61 135.52 52.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.53 -0.544 . . . . 63.52 109.53 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.6 m -137.61 140.65 41.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 74.04 110.337 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.2 mm -121.77 161.98 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 72.12 109.599 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t60 -142.29 147.92 37.19 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 63.51 110.652 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.69 1.16 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.199 1.185 . . . . 71.54 114.199 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 m -59.23 130.09 45.27 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.156 0.435 . . . . 75.32 111.846 -168.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 112' ' ' VAL . 23.1 t -78.2 178.66 7.42 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.379 -0.828 . . . . 61.2 111.785 -174.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HG3' HE21 ' A' ' 79' ' ' GLN . 51.8 ttp180 -47.13 130.72 12.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.867 0.867 . . . . 70.34 112.449 -172.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 110' ' ' SER . 30.5 m -129.07 176.33 8.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.286 -0.87 . . . . 51.15 110.105 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.97 114.45 13.46 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 110.067 -0.346 . . . . 74.32 110.067 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.22 169.7 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.981 -0.554 . . . . 61.52 110.528 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.94 -44.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.069 -0.252 . . . . 74.33 111.002 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.85 154.97 8.2 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.075 -1.06 . . . . 52.42 113.634 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -97.59 112.19 24.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.173 -0.677 . . . . 64.33 109.173 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.2 pt-20 -162.08 137.75 7.49 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.05 0.452 . . . . 71.34 110.716 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 68' ' ' ASN . 23.5 mm -69.41 86.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.529 0.68 . . . . 71.13 110.183 -176.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.501 ' HG3' ' HG3' ' A' ' 118' ' ' GLU . 59.1 mtt180 -85.66 138.23 32.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.88 -1.054 . . . . 61.44 110.952 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.445 -0.788 . . . . 75.33 109.5 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.031 0.443 . . . . 64.33 110.385 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -137.87 145.17 41.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 71.11 109.442 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -139.81 131.31 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 74.11 109.774 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.55 134.61 37.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.71 -0.478 . . . . 70.33 109.71 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.2 t -93.72 132.32 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.385 -0.598 . . . . 71.23 109.385 176.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.457 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 11.6 m-85 -111.85 150.89 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.201 0.524 . . . . 74.21 111.321 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -154.53 110.42 3.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.226 -0.897 . . . . 74.33 109.138 170.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.22 143.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.267 -0.642 . . . . 72.44 109.267 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.6 p -102.44 125.54 49.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.243 -0.435 . . . . 74.2 111.397 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 110.833 -0.907 . . . . 41.4 110.833 174.115 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HB2' HG21 ' A' ' 74' ' ' VAL . 3.2 t80 . . . . . 0 C--O 1.233 0.212 0 N-CA-C 109.995 -0.372 . . . . 63.04 109.995 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -63.83 93.1 0.08 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.454 0.645 . . . . 70.11 112.508 -177.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.79 -39.0 57.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.209 -0.905 . . . . 70.43 111.342 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -52.08 -61.1 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.582 -0.735 . . . . 63.52 110.97 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -70.39 -29.44 66.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.469 -0.787 . . . . 73.2 111.196 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -62.22 -53.35 56.45 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 120.973 0.416 . . . . 73.23 110.2 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -64.31 -45.69 86.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.681 -0.69 . . . . 52.34 109.833 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -57.6 -52.2 66.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.434 -0.348 . . . . 65.33 111.03 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.77 -54.94 31.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.704 -0.68 . . . . 63.1 110.574 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -59.75 -42.2 92.66 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.059 -0.518 . . . . 74.43 110.959 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.1 -39.57 93.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 61.14 111.006 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.82 -50.03 46.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 73.43 111.169 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.3 -6.0 59.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.603 -0.271 . . . . 74.52 111.442 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m 67.68 51.41 0.82 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.241 0.543 . . . . 74.53 111.756 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -89.16 144.26 26.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.041 -0.527 . . . . 73.12 109.843 174.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.8 m -119.09 155.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.901 -0.407 . . . . 63.31 109.901 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.81 -133.86 4.72 Favored Glycine 0 C--O 1.236 0.23 0 N-CA-C 111.462 -0.655 . . . . 63.55 111.462 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.0 156.46 10.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.012 0.406 . . . . 74.34 111.036 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 28.2 t -138.65 149.74 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.781 -0.451 . . . . 72.34 109.781 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.9 t -158.55 161.82 37.34 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.179 0.924 . . . . 62.0 109.819 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.693 ' HB2' HG23 ' A' ' 119' ' ' ILE . 26.9 t-20 -114.03 136.6 52.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.761 0.315 . . . . 73.4 110.351 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.545 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -92.46 161.63 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 74.0 110.351 -179.434 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.59 -23.88 63.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.967 0.413 . . . . 73.5 110.559 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.05 -17.85 64.8 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 73.01 111.179 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.31 21.62 54.03 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.098 -0.801 . . . . 64.4 111.098 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -108.47 132.42 53.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.807 -0.442 . . . . 74.3 109.807 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 48' ' ' PHE . 25.4 t -92.63 114.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.957 -0.386 . . . . 61.55 109.957 -178.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -118.18 161.07 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.584 -0.28 . . . . 50.11 110.713 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.21 -168.83 41.73 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.682 -0.567 . . . . 53.55 111.682 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 46.2 t -139.1 139.75 39.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.748 -0.464 . . . . 74.14 109.748 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.0 145.48 27.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.644 -0.502 . . . . 63.53 109.644 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt-30 -138.84 146.03 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.471 -0.566 . . . . 75.34 109.471 -177.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.61 -170.34 29.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 73.2 111.868 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -62.5 149.54 90.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.443 2.096 . . . . 73.32 111.634 177.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.33 -48.19 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 71.14 111.445 -176.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -69.02 -33.95 74.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.521 -0.309 . . . . 53.44 111.588 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.535 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -74.14 -39.58 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 73.41 110.048 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.22 -36.13 74.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.515 -0.55 . . . . 73.43 109.515 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 31.0 t70 -63.87 -40.42 96.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 72.04 109.858 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.06 91.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 62.15 110.341 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 28.8 t80 -65.32 -42.62 92.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.442 -0.799 . . . . 72.11 111.497 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 86' ' ' ASP . 10.0 p -68.51 -39.4 80.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 C-N-CA 120.837 -0.345 . . . . 71.34 110.668 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 86' ' ' ASP . 5.6 mptp? -60.76 -38.4 85.07 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.661 -0.496 . . . . 73.32 109.661 173.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 88' ' ' PHE . 13.6 t80 -59.18 -43.51 92.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.807 -0.633 . . . . 71.31 110.492 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -33.49 76.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.969 -0.559 . . . . 60.14 110.239 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.92 -7.83 56.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.957 -0.565 . . . . 73.34 111.615 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.38 -45.05 73.78 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.818 -0.438 . . . . 75.41 109.818 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.75 148.55 5.76 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.725 -0.67 . . . . 31.54 112.02 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 51.1 m -78.64 126.41 82.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.082 -0.34 . . . . 75.45 110.082 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.34 -31.44 93.86 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.637 2.225 . . . . 63.34 112.546 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -95.34 -26.19 16.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.448 -0.342 . . . . 75.23 111.248 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.6 t -110.54 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 65.2 110.124 -175.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.13 129.68 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.892 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.78 149.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.93 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -98.3 -50.37 4.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.092 -0.504 . . . . 64.2 110.326 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 104' ' ' VAL . 22.8 tptm -158.74 138.38 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.527 -0.761 . . . . 72.44 110.158 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.443 ' O ' ' HE2' ' A' ' 103' ' ' LYS . 8.3 p -101.48 129.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.278 -0.638 . . . . 63.52 109.278 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -120.81 134.68 55.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.566 -0.531 . . . . 74.04 109.566 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -121.15 158.38 23.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 88.6 m-70 -139.84 154.54 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 63.51 110.813 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.22 5.99 24.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.753 -1.112 . . . . 71.54 113.559 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.9 m -59.73 134.42 57.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.15 0.5 . . . . 75.32 111.938 -167.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 m -71.77 178.16 3.79 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.003 -0.999 . . . . 61.2 112.164 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -47.0 138.75 6.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.587 -0.733 . . . . 70.34 112.664 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.2 176.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.868 -1.06 . . . . 51.15 109.293 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.49 120.82 28.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.022 -0.362 . . . . 74.32 110.022 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.26 141.13 55.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 61.52 111.152 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -124.14 -45.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 74.33 111.387 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.76 139.3 3.36 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.73 -0.748 . . . . 52.42 113.015 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.418 ' HA ' ' H ' ' A' ' 66' ' ' VAL . 14.8 m-85 -93.15 112.22 24.1 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.529 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 14.7 pt-20 -162.5 142.8 9.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.23 0.538 . . . . 71.34 110.938 175.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.693 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.4 mp -75.4 86.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.929 0.871 . . . . 71.13 108.753 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 44.3 mtt85 -72.39 135.9 45.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.347 -1.297 . . . . 61.44 110.752 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.656 -0.868 . . . . 75.33 108.656 178.531 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.234 0.247 0 CA-C-O 121.103 0.478 . . . . 64.33 110.583 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -125.84 155.42 41.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 71.11 109.595 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -147.54 129.2 15.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.596 0.236 . . . . 74.11 111.042 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 78' ' ' VAL . 4.6 mp -147.6 150.62 34.79 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.25 -0.648 . . . . 70.33 109.25 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 70.0 m -92.41 141.65 28.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.721 0.295 . . . . 71.23 110.514 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.443 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.6 m-85 -112.94 139.97 48.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 74.21 110.682 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -150.09 113.17 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 74.33 109.697 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' HD11 ' A' ' 92' ' ' LEU . 7.6 p -113.36 143.49 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.311 -0.626 . . . . 72.44 109.311 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.559 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 27.0 p -107.06 155.17 20.13 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.35 -0.387 . . . . 74.2 110.01 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 0.142 0 C-N-CA 121.335 -0.46 . . . . 41.4 112.234 179.62 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.683 ' HB3' HG12 ' A' ' 119' ' ' ILE . 10.8 t80 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 110.042 -0.355 . . . . 63.04 110.042 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -61.14 85.51 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.678 0.622 . . . . 70.11 112.678 -177.326 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.658 ' HA ' HD13 ' A' ' 119' ' ' ILE . 3.2 ptp180 -52.39 -37.92 57.66 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.481 -0.781 . . . . 70.43 112.295 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -58.56 -49.71 76.44 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.712 0.292 . . . . 63.52 110.991 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -68.76 -31.65 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 73.2 110.54 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -60.11 -52.86 63.56 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.912 0.387 . . . . 73.23 110.521 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 49.7 mtpt -64.78 -40.2 94.86 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.896 -0.593 . . . . 52.34 110.2 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -58.77 -52.06 67.31 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.935 -0.575 . . . . 65.33 111.04 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.25 -53.71 48.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.808 -0.633 . . . . 63.1 110.418 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.49 84.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.651 -0.704 . . . . 74.43 110.839 -177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.89 -36.5 78.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 61.14 110.726 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.46 69.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.198 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.05 -4.65 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 74.52 111.217 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.1 t 68.52 40.12 1.99 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.835 0.35 . . . . 74.53 111.754 171.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.82 133.89 34.32 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.55 -0.537 . . . . 73.12 109.55 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -109.49 150.46 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.137 -0.69 . . . . 63.31 109.137 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.37 -135.8 5.25 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.764 -0.934 . . . . 63.55 110.764 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 145.4 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.492 0.646 . . . . 74.34 111.23 179.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 5.1 t -139.04 146.61 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 115.964 -0.562 . . . . 72.34 110.05 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.8 t -155.54 161.94 40.78 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 124.054 0.846 . . . . 62.0 109.413 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.835 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.6 t-20 -108.5 163.35 13.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.062 -0.347 . . . . 73.4 110.062 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.506 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.3 m-80 -130.71 141.9 50.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.989 -0.745 . . . . 74.0 108.989 177.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -58.92 -15.93 15.24 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.35 0.595 . . . . 73.5 110.371 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.92 -15.03 61.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.157 -0.928 . . . . 73.01 110.694 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.95 28.4 12.09 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.964 -0.562 . . . . 64.4 111.724 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -132.47 130.78 40.94 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.937 0.399 . . . . 74.3 110.902 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.3 t -101.49 117.68 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.094 -0.706 . . . . 61.55 109.094 174.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -127.94 155.51 44.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 50.11 111.621 -172.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.28 -166.34 38.28 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.966 -0.561 . . . . 53.55 112.075 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.533 HG22 ' SG ' ' A' ' 37' ' ' CYS . 48.8 t -133.09 139.69 48.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 122.62 0.368 . . . . 74.14 110.236 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 36' ' ' LEU . 9.9 p -115.07 136.4 51.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 109.675 -0.491 . . . . 63.53 109.675 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt-30 -139.69 140.78 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.395 -0.594 . . . . 75.34 109.395 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.54 -172.06 27.19 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.659 -0.576 . . . . 73.2 111.659 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.2 Cg_endo -56.22 126.92 23.94 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.569 2.18 . . . . 73.32 111.971 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.16 -31.96 2.69 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.883 0.698 . . . . 71.14 112.883 -176.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 6.3 pt-20 -70.42 -42.81 71.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.124 0.488 . . . . 53.44 110.994 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.456 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.2 mp0 -74.0 -29.76 62.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.894 -0.41 . . . . 73.41 109.894 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.44 -39.35 84.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.24 -0.652 . . . . 73.43 109.24 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.555 ' O ' HG12 ' A' ' 89' ' ' VAL . 23.3 t70 -64.18 -42.75 96.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.426 -0.807 . . . . 72.04 109.822 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.3 67.78 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.294 0.569 . . . . 62.15 110.466 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -69.3 -42.57 75.27 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.509 -0.769 . . . . 72.11 111.123 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 86' ' ' ASP . 8.8 p -66.17 -34.86 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 120.712 -0.395 . . . . 71.34 110.136 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 47.4 mmtm -59.67 -44.58 93.55 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.305 -0.628 . . . . 73.32 109.305 172.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -59.97 -44.73 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 71.31 110.72 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.418 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.91 -39.35 94.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 60.14 110.33 -177.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -61.84 -25.41 67.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.883 -0.598 . . . . 73.34 111.23 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.08 -30.38 70.88 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.122 0.487 . . . . 75.41 110.228 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.21 -168.65 47.69 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.596 -0.729 . . . . 31.54 113.039 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -72.85 148.32 89.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.957 -0.386 . . . . 75.45 109.957 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 34.1 Cg_endo -65.29 -52.1 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.269 1.979 . . . . 63.34 112.739 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.14 14.56 11.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.844 0.354 . . . . 75.23 111.353 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -123.14 145.85 48.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.651 -0.499 . . . . 65.2 109.651 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.76 129.39 39.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.515 -0.311 . . . . 74.34 110.987 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -81.24 149.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.31 175.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 17.9 ttmm -89.07 -55.06 3.83 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 64.2 109.533 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -167.63 143.95 4.16 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.867 -0.606 . . . . 72.44 110.093 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.48 141.59 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.871 -0.418 . . . . 63.52 109.871 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 m -137.79 137.58 38.34 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.943 -0.392 . . . . 74.04 109.943 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.7 mm -123.39 156.42 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.278 -0.638 . . . . 72.12 109.278 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 5.7 t60 -135.62 145.3 46.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.012 0.434 . . . . 63.51 111.004 -177.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.43 6.16 1.95 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.353 1.242 . . . . 71.54 114.353 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.676 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 56.8 m -59.28 146.34 39.78 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.412 0.625 . . . . 75.32 112.396 -166.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -82.41 178.41 8.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.737 -1.12 . . . . 61.2 112.37 -171.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.93 140.21 31.54 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 70.34 112.381 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.6 176.21 7.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.321 -0.854 . . . . 51.15 109.382 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.7 130.03 34.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.994 -0.373 . . . . 74.32 109.994 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.63 165.48 24.64 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.942 -0.572 . . . . 61.52 111.02 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 29.3 t70 -147.4 -45.66 0.17 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.909 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 145.98 137.98 3.15 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.932 -0.652 . . . . 52.42 113.073 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.5 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 31.0 m-85 -87.15 111.93 21.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.22 -0.659 . . . . 64.33 109.22 174.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.7 pt-20 -163.05 132.18 4.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 71.34 110.206 170.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.6 mp -65.03 87.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.613 0.721 . . . . 71.13 110.233 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.566 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.7 mtt180 -84.39 144.83 28.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.549 -1.205 . . . . 61.44 110.405 175.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.884 -0.598 . . . . 75.33 110.254 178.377 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.939 -0.763 . . . . 64.33 108.939 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.3 m -104.1 122.14 44.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.334 -0.848 . . . . 71.11 109.94 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.559 HG23 ' HG2' ' A' ' 79' ' ' GLN . 88.6 m -109.98 123.07 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.895 -0.409 . . . . 74.11 109.895 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.2 mt -137.53 135.8 37.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.639 -0.504 . . . . 70.33 109.639 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 52.5 t -87.53 137.38 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.547 -0.538 . . . . 71.23 109.547 177.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.82 146.56 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.888 0.375 . . . . 74.21 110.003 -177.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -152.05 110.88 3.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 109.475 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -117.54 143.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.767 -0.457 . . . . 72.44 109.767 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 20.2 p -100.14 117.12 33.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.611 0.243 . . . . 74.2 110.546 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 111.025 -0.83 . . . . 41.4 111.025 177.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.499 ' HD2' HD11 ' A' ' 119' ' ' ILE . 24.5 t80 . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 110.258 -0.275 . . . . 63.04 110.258 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.38 90.52 2.67 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.899 0.703 . . . . 70.11 112.899 -175.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' HB2' HG12 ' A' ' 119' ' ' ILE . 13.7 ttm180 -57.09 -54.34 47.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.485 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.92 -51.29 58.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 63.52 111.301 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -65.54 -40.2 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 73.2 111.156 -175.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -60.53 -47.25 86.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.787 0.327 . . . . 73.23 111.306 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -63.8 -43.45 96.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.189 -0.46 . . . . 52.34 110.267 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.56 -47.13 87.56 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.539 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.57 -56.01 27.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.56 -0.745 . . . . 63.1 110.506 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.56 70.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 74.43 110.51 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.75 -35.52 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 61.14 111.026 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -40.81 66.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.127 -0.488 . . . . 73.43 111.788 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 59.0 mt -101.5 5.26 41.81 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.99 0.367 . . . . 74.52 111.99 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m 68.39 32.6 4.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.047 0.539 . . . . 74.53 112.225 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.72 133.65 35.37 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.5 -0.926 . . . . 73.12 108.5 170.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 79' ' ' GLN . 30.3 m -115.06 163.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.499 -0.556 . . . . 63.31 109.499 176.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 146.04 -141.52 9.73 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.15 -0.78 . . . . 63.55 111.15 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.49 152.67 22.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.914 0.357 . . . . 74.34 110.601 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.6 t -134.76 142.0 41.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 109.507 -0.553 . . . . 72.34 109.507 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 14.9 t -153.44 161.97 41.74 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.913 0.758 . . . . 62.0 110.282 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 3.2 t-20 -119.37 156.44 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.259 -0.645 . . . . 73.4 109.259 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 55.6 m-80 -132.74 167.04 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 74.0 110.821 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -54.99 -26.08 34.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.317 -0.856 . . . . 73.5 112.39 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.91 -12.46 59.51 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.272 -0.422 . . . . 73.01 111.638 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.64 5.92 81.02 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.06 -0.816 . . . . 64.4 111.06 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.403 ' HB3' HG22 ' A' ' 41' ' ' THR . 15.6 p -95.65 135.99 36.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.049 0.452 . . . . 74.3 110.593 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 48' ' ' PHE . 59.2 t -101.11 118.1 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 61.55 109.25 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -117.94 170.78 8.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.343 -0.389 . . . . 50.11 109.994 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.7 -165.19 38.27 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.587 -0.605 . . . . 53.55 111.587 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 60.6 t -140.66 136.15 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.019 0.409 . . . . 74.14 110.269 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.48 135.07 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.285 -0.635 . . . . 63.53 109.285 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' A' ' 35' ' ' THR . 2.0 mt-30 -137.04 127.34 26.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.711 -0.848 . . . . 75.34 108.711 -176.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.02 -163.42 31.39 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.408 -0.901 . . . . 73.2 112.862 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 15.5 Cg_endo -57.0 129.84 36.62 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.101 2.534 . . . . 73.32 112.102 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.58 -35.55 13.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 71.14 112.148 -175.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 7.4 pt-20 -70.35 -43.96 69.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.841 0.312 . . . . 53.44 111.841 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.3 mp0 -72.7 -33.05 66.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.494 0.188 . . . . 73.41 110.636 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 95.5 t -61.71 -45.24 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.996 -0.742 . . . . 73.43 108.996 172.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.61 -46.04 81.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.259 -0.882 . . . . 72.04 109.369 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.78 85.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.089 -0.96 . . . . 62.15 111.014 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -67.41 -35.83 80.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 72.11 109.894 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.0 t -62.77 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.192 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.1 -29.61 69.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.862 -0.608 . . . . 73.32 110.528 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.75 -41.95 64.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.613 -0.721 . . . . 71.31 110.135 173.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -37.87 88.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 60.14 109.544 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.48 -4.66 23.84 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.453 -0.794 . . . . 73.34 111.796 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -73.4 -34.57 65.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.522 -0.547 . . . . 75.41 109.522 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 170.97 46.41 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.6 -0.727 . . . . 31.54 112.721 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 19.9 m -60.0 147.88 78.8 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 122.403 0.281 . . . . 75.45 110.449 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.2 -50.57 13.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.703 2.269 . . . . 63.34 112.966 -173.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -113.33 -2.14 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 75.23 111.492 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.7 t -119.79 141.57 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.985 -0.376 . . . . 65.2 109.985 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.43 137.79 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.449 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 m -91.08 142.29 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.881 0.372 . . . . 73.33 110.136 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.479 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 23.6 tptm -91.05 -53.67 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 64.2 110.719 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -147.94 131.65 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.361 -0.381 . . . . 72.44 110.802 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.4 129.09 58.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 109.39 -0.596 . . . . 63.52 109.39 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 m -129.83 124.5 33.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.946 -0.39 . . . . 74.04 109.946 -173.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.9 mm -111.97 148.33 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 44.7 t-80 -132.94 151.75 52.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.208 0.527 . . . . 63.51 110.946 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.39 7.07 0.86 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.789 1.236 . . . . 71.54 114.188 -173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.0 m -59.27 141.48 54.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.251 0.548 . . . . 75.32 112.431 -162.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 m -74.42 174.77 8.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.042 -0.981 . . . . 61.2 112.109 -172.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.96 136.61 51.76 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.343 -0.844 . . . . 70.34 111.48 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 176.06 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.066 -0.516 . . . . 51.15 110.564 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.04 125.44 27.66 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.557 -0.534 . . . . 74.32 109.557 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.415 ' HB1' ' H ' ' A' ' 64' ' ' GLY . . . -97.72 -167.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 61.52 112.131 -174.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 73.12 44.88 0.31 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.024 -0.989 . . . . 74.33 110.953 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.16 37.21 1.96 Allowed Glycine 0 CA--C 1.508 -0.382 0 CA-C-N 115.574 -0.739 . . . . 52.42 112.771 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -72.94 112.4 8.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.071 -0.565 . . . . 64.33 110.762 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.5 169.38 20.42 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.768 0.318 . . . . 71.34 110.179 173.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.541 HG12 ' HB2' ' A' ' 50' ' ' ARG . 40.7 mm -103.55 85.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.014 -1.106 . . . . 71.13 108.014 167.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.533 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 28.1 ttt180 -80.69 111.89 17.55 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.219 -1.355 . . . . 61.44 110.748 -174.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.323 -0.846 . . . . 75.33 109.379 176.112 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.656 0.741 . . . . 64.33 109.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -81.55 134.09 35.46 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.937 -1.029 . . . . 71.11 110.113 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.413 HG23 ' HG2' ' A' ' 79' ' ' GLN . 87.3 m -125.55 130.15 51.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 74.11 110.246 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.6 mt -142.3 137.05 30.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 70.33 109.277 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.9 t -86.14 136.36 33.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.794 -0.447 . . . . 71.23 109.794 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -111.54 139.34 47.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.099 0.476 . . . . 74.21 110.644 -176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -151.5 111.03 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.473 -0.785 . . . . 74.33 109.567 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.73 139.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.984 -0.747 . . . . 72.44 108.984 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 p -91.33 128.26 37.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.782 -0.644 . . . . 74.2 110.646 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 CA-C-N 116.034 -0.53 . . . . 41.4 111.846 -178.44 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.506 ' HD2' HD11 ' A' ' 119' ' ' ILE . 19.0 t80 . . . . . 0 C--O 1.234 0.287 0 N-CA-C 109.371 -0.603 . . . . 63.04 109.371 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 82.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.271 0.471 . . . . 70.11 112.271 -175.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HG3' ' HA ' ' A' ' 118' ' ' GLU . 19.8 ttm180 -52.49 -45.32 66.14 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.884 -0.598 . . . . 70.43 110.772 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.41 -46.39 83.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.528 -0.76 . . . . 63.52 111.074 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 73.2 110.546 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 m -61.71 -37.43 84.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.158 0.504 . . . . 73.23 110.261 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -46.9 78.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.598 -0.728 . . . . 52.34 109.858 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.38 -52.25 66.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.828 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -57.41 11.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.555 -0.748 . . . . 63.1 110.278 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.373 -0.83 . . . . 74.43 111.242 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.78 -45.78 92.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.831 0.348 . . . . 61.14 110.804 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.61 -45.88 70.76 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.006 -0.543 . . . . 73.43 111.505 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 75.0 mt -79.41 -9.75 59.66 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.039 0.447 . . . . 74.52 110.683 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 68.19 42.03 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.309 -0.86 . . . . 74.53 111.932 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.78 133.46 35.64 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.685 -1.228 . . . . 73.12 107.685 165.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -114.98 172.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.121 -0.326 . . . . 63.31 110.121 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.69 -135.1 8.09 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.467 -1.053 . . . . 63.55 110.467 -175.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.461 ' HB2' ' H ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.23 152.19 7.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.315 0.558 . . . . 74.34 111.192 178.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.5 t -138.87 143.13 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.291 -0.413 . . . . 72.34 110.23 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 11.1 t -151.31 162.21 41.32 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.169 0.918 . . . . 62.0 110.293 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -105.46 123.77 48.44 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.602 -0.518 . . . . 73.4 109.602 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.492 ' N ' HD22 ' A' ' 68' ' ' ASN . 43.6 m-80 -76.72 150.04 36.31 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.983 -0.377 . . . . 74.0 109.983 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.16 -28.37 64.67 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.453 0.471 . . . . 73.5 112.052 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.11 -19.67 61.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.662 0.268 . . . . 73.01 110.664 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.26 -33.6 3.61 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 121.12 -0.562 . . . . 64.4 112.837 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -64.91 145.32 56.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.732 0.301 . . . . 74.3 111.695 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.67 138.46 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.936 -0.764 . . . . 61.55 108.936 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -143.36 166.64 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 50.11 111.144 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.03 -166.15 38.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.497 -0.641 . . . . 53.55 111.497 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -137.18 141.59 39.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.958 0.379 . . . . 74.14 110.017 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -118.29 143.34 29.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 123.622 0.576 . . . . 63.53 110.0 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 35' ' ' THR . 1.2 mt-30 -143.07 140.91 31.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.154 -0.684 . . . . 75.34 109.154 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.1 30.1 Favored Glycine 0 CA--C 1.516 0.103 0 C-N-CA 120.656 -0.783 . . . . 73.2 112.627 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.7 Cg_endo -56.53 138.59 85.05 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.032 2.488 . . . . 73.32 111.413 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HD2' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -68.19 -23.83 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 71.14 110.76 -169.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 82' ' ' LYS . 1.9 pm0 -70.23 -40.58 74.39 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.289 0.566 . . . . 53.44 110.354 176.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.552 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -73.88 -32.15 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.657 -0.702 . . . . 73.41 110.285 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 81' ' ' PRO . 95.9 t -66.03 -39.75 85.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.717 -0.475 . . . . 73.43 109.717 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.21 -40.73 97.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.919 -0.582 . . . . 72.04 109.556 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.49 95.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.575 -0.739 . . . . 62.15 110.578 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 13.3 t80 -69.74 -47.11 64.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 72.11 110.517 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.33 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 71.34 110.398 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.57 -47.58 84.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 73.32 109.672 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.46 -41.85 86.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.047 -0.979 . . . . 71.31 110.8 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -34.28 76.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 60.14 110.271 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -61.04 -20.67 62.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.416 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -60.41 -42.73 96.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.012 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.23 -148.8 19.51 Favored Glycine 0 C--O 1.229 -0.197 0 CA-C-N 116.059 -0.519 . . . . 31.54 111.927 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 49.2 m -134.35 136.21 25.42 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 117.007 0.404 . . . . 75.45 110.729 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 2.9 Cg_exo -76.79 -36.06 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.646 2.23 . . . . 63.34 112.764 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -87.19 -16.57 34.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 75.23 111.641 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.6 m -137.72 147.94 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.694 0.283 . . . . 65.2 110.896 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.87 113.24 25.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.076 -0.511 . . . . 74.34 110.923 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -85.55 139.27 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.324 -0.621 . . . . 73.33 109.324 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.664 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -88.58 -45.88 9.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.532 -0.304 . . . . 64.2 110.843 -178.233 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -167.66 138.85 2.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.74 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.57 140.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.492 -0.558 . . . . 63.52 109.492 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.8 m -138.1 134.78 35.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 110.115 -0.328 . . . . 74.04 110.115 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mm -120.37 149.01 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.284 -0.636 . . . . 72.12 109.284 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 29.2 m170 -129.42 154.12 47.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.038 0.447 . . . . 63.51 110.798 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.79 6.08 2.19 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.558 1.143 . . . . 71.54 113.994 -171.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 m -59.76 130.29 46.08 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.415 0.626 . . . . 75.32 111.738 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 p -82.39 178.43 8.24 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.974 -1.012 . . . . 61.2 112.303 -171.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -42.89 125.52 3.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.835 -1.075 . . . . 70.34 112.978 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.68 176.25 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.633 -0.712 . . . . 51.15 110.23 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.91 133.04 33.97 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.503 -0.555 . . . . 74.32 109.503 173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.61 146.57 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.063 0.394 . . . . 61.52 112.063 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 10.4 m-20 -120.24 -53.54 2.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.023 -0.535 . . . . 74.33 110.429 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.461 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.36 149.57 5.1 Favored Glycine 0 C--O 1.238 0.355 0 C-N-CA 121.176 -0.535 . . . . 52.42 112.528 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -92.66 112.52 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.808 -0.441 . . . . 64.33 109.808 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.45 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 13.9 pt-20 -158.93 126.59 4.97 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.744 0.307 . . . . 71.34 110.343 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.506 HD11 ' HD2' ' A' ' 48' ' ' PHE . 38.3 mm -66.95 85.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 71.13 109.187 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.473 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 33.6 ttt180 -89.86 124.89 35.08 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.734 -1.121 . . . . 61.44 110.274 -175.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.697 -0.668 . . . . 75.33 109.601 177.095 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.865 0.364 . . . . 72.33 110.629 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.81 127.05 33.1 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.698 -0.482 . . . . 63.04 109.698 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -151.51 120.66 6.74 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.16 -0.311 . . . . 73.32 110.16 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -118.55 155.31 31.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.711 -0.478 . . . . 74.33 109.711 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -117.52 148.01 42.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.551 -0.295 . . . . 72.12 110.536 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -91.09 177.18 6.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 74.41 111.103 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -154.98 143.13 20.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.886 -0.597 . . . . 74.24 109.659 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -162.25 148.8 13.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.605 0.241 . . . . 71.51 110.773 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -143.75 174.09 11.1 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.037 -0.529 . . . . 63.23 109.818 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.39 -159.46 13.54 Favored Glycine 0 CA--C 1.519 0.329 0 O-C-N 123.323 0.389 . . . . 74.43 112.138 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -137.36 -178.64 5.31 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.705 0.288 . . . . 73.24 110.781 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -123.51 119.51 30.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.455 -0.339 . . . . 73.43 110.695 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.54 104.81 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.689 -0.486 . . . . 62.32 109.689 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.63 -178.4 6.33 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.087 -0.506 . . . . 75.13 111.858 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -127.94 149.79 50.17 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.002 -0.544 . . . . 73.33 110.568 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 p -97.63 111.96 24.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 72.31 109.757 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.78 120.17 19.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.874 0.369 . . . . 71.34 110.71 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 175.96 53.8 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.07 -0.514 . . . . 71.43 113.095 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -95.63 -155.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.573 2.849 . . . . 74.15 112.595 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.5 179.72 29.61 Favored Glycine 0 N--CA 1.453 -0.183 0 N-CA-C 110.651 -0.979 . . . . 74.25 110.651 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.1 m -152.47 109.61 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.595 0.697 . . . . 73.15 111.428 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 88.2 mtp -144.67 -171.9 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.237 -1.023 . . . . 73.31 108.237 173.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -178.84 147.44 0.37 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.493 0.187 . . . . 74.11 110.617 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.06 114.43 0.61 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 111.534 -0.627 . . . . 71.41 111.534 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 p -148.22 123.2 10.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.662 0.231 . . . . 60.0 111.023 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.5 mtt -139.03 121.65 10.49 Favored Pre-proline 0 N--CA 1.464 0.274 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.146 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.17 106.1 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.235 1.957 . . . . 74.34 110.518 172.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.3 t -108.49 172.04 7.07 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.105 -0.498 . . . . 70.24 110.469 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.6 m -123.89 -0.15 8.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.914 -0.584 . . . . 73.11 110.087 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.64 ' O ' HG12 ' A' ' 33' ' ' VAL . 15.5 m -66.51 142.23 57.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.989 -0.551 . . . . 75.4 110.846 -177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.75 -26.09 5.17 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.081 0.553 . . . . 62.5 112.064 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.09 -23.31 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.499 0.555 . . . . 74.21 112.499 -173.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 30' ' ' SER . 9.4 p -64.71 106.97 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.97 0.891 . . . . 64.33 110.703 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.4 m -100.01 155.01 17.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.751 -1.113 . . . . 71.11 110.966 -173.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.4 m -148.71 131.83 16.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.509 -0.314 . . . . 74.11 110.504 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -144.1 145.18 31.98 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.626 -0.509 . . . . 70.33 109.626 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 78.3 m -85.77 138.35 32.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.056 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -111.88 144.25 41.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.628 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -155.2 111.64 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.27 -0.641 . . . . 74.33 109.27 173.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.437 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.9 p -115.11 145.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.365 -0.379 . . . . 72.44 110.264 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p -103.83 146.67 28.29 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.791 -0.818 . . . . 74.2 108.791 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.17 162.15 26.01 Favored Glycine 0 C--O 1.234 0.102 0 C-N-CA 120.252 -0.975 . . . . 41.4 113.321 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -68.08 147.28 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.704 -0.48 . . . . 54.14 109.704 175.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.8 m -81.47 77.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.912 0.863 . . . . 73.31 109.475 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -137.77 -53.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.965 -1.016 . . . . 75.34 110.245 -174.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.48 154.71 25.72 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 111.744 -0.542 . . . . 52.52 111.744 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.8 m -79.23 171.79 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.941 0.401 . . . . 73.2 111.463 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' HB3' HG12 ' A' ' 119' ' ' ILE . 4.6 t80 -77.55 127.39 32.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.351 -0.84 . . . . 63.04 109.915 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.453 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -69.78 96.4 0.98 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.121 0.415 . . . . 70.11 112.121 -177.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.609 ' NH1' ' HB3' ' A' ' 118' ' ' GLU . 9.4 ttt85 -51.81 -28.91 17.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.056 -0.52 . . . . 70.43 110.439 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.16 -68.9 0.13 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.583 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -69.62 -30.65 68.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.506 . . . . 73.2 111.239 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.6 m -63.73 -51.05 66.69 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.924 0.393 . . . . 73.23 110.628 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -70.83 -37.21 73.18 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 109.737 -0.468 . . . . 52.34 109.737 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' A' ' 55' ' ' LYS . 8.5 mtpm? -57.54 -42.24 82.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.067 -0.346 . . . . 65.33 110.067 175.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -61.41 -53.47 56.16 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.907 -0.588 . . . . 63.1 110.054 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -60.12 -42.65 95.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.571 -0.741 . . . . 74.43 111.354 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -67.2 -38.34 85.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.924 0.392 . . . . 61.14 110.826 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.64 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 73.43 111.084 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.63 -3.56 58.21 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.101 -0.499 . . . . 74.52 111.46 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t 68.38 42.43 1.63 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.914 0.388 . . . . 74.53 111.51 173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.84 144.21 27.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.911 0.386 . . . . 73.12 110.312 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.9 m -120.76 161.94 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 63.31 109.284 174.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.47 -135.16 5.82 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.392 -0.683 . . . . 63.55 111.392 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.03 147.2 5.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 117.089 0.444 . . . . 74.34 111.307 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.3 t -138.81 145.29 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.486 -0.324 . . . . 72.34 110.617 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.671 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.7 t -156.77 161.8 39.77 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 62.0 110.422 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.719 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.0 t-20 -94.65 154.4 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.662 -0.866 . . . . 73.4 108.662 173.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -118.18 158.75 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.676 0.274 . . . . 74.0 110.886 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.13 -21.92 66.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.92 -0.582 . . . . 73.5 109.728 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.92 -19.61 66.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.567 -0.742 . . . . 73.01 110.199 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.3 -35.1 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.541 -0.754 . . . . 64.4 111.37 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.8 p -69.44 152.16 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.144 0.497 . . . . 74.3 111.726 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -102.25 119.24 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.102 -0.703 . . . . 61.55 109.102 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -120.95 172.22 8.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 50.11 110.89 -174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.73 -164.33 36.29 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.611 -0.596 . . . . 53.55 111.611 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.4 t -140.63 136.72 35.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-N 116.953 0.376 . . . . 74.14 110.039 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.7 t -112.14 136.69 47.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 O-C-N 123.559 0.537 . . . . 63.53 110.183 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.6 mt-30 -135.69 148.96 49.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 75.34 109.365 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 148.01 -170.61 28.63 Favored Glycine 0 CA--C 1.511 -0.196 0 N-CA-C 111.041 -0.824 . . . . 73.2 111.041 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 9.7 Cg_endo -54.13 142.49 66.36 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 121.99 1.793 . . . . 73.32 111.307 175.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -43.8 -51.99 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.463 -0.789 . . . . 71.14 111.16 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 5.9 pt-20 -70.71 -31.68 68.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 53.44 112.124 -171.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.561 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -73.06 -38.79 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 73.41 110.357 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -57.77 -41.61 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 108.736 -0.838 . . . . 73.43 108.736 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 8.0 t70 -57.75 -46.09 84.98 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.357 -0.838 . . . . 72.04 110.19 173.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.12 75.27 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.041 0.448 . . . . 62.15 110.519 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -69.49 -42.95 74.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.726 -0.67 . . . . 72.11 110.845 -178.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 86' ' ' ASP . 7.4 p -67.72 -35.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.807 0.337 . . . . 71.34 110.435 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 31.1 mmtp -64.63 -39.28 93.42 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.45 -0.574 . . . . 73.32 109.45 175.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -61.47 -42.46 98.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.728 -0.669 . . . . 71.31 109.857 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.437 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.74 -31.49 72.69 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.85 -0.614 . . . . 60.14 110.416 -178.031 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -64.89 -29.19 70.13 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.997 0.427 . . . . 73.34 110.624 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.88 -35.97 20.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.966 -0.561 . . . . 75.41 109.779 176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.37 -162.92 39.83 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.419 -0.809 . . . . 31.54 111.818 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.522 ' HB3' ' OG ' ' A' ' 99' ' ' SER . 15.4 t -81.78 140.55 47.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.644 -0.873 . . . . 75.45 108.644 174.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -48.58 -35.57 29.62 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.257 2.638 . . . . 63.34 113.59 -173.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.76 14.29 25.67 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.064 0.394 . . . . 75.23 112.064 -174.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 96' ' ' SER . 78.0 p -115.07 102.65 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.659 -0.497 . . . . 65.2 109.659 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.41 99.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 74.34 110.184 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.66 131.67 33.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.852 -0.613 . . . . 73.33 110.896 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -84.23 -57.97 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 64.2 110.401 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -153.7 137.44 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.744 -0.662 . . . . 72.44 109.87 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -100.44 140.52 19.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 109.959 -0.386 . . . . 63.52 109.959 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 m -137.74 121.99 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.92 -0.4 . . . . 74.04 109.92 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.0 mm -113.28 160.47 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.182 -0.673 . . . . 72.12 109.182 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 23.6 t-80 -139.31 144.52 38.34 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.145 0.498 . . . . 63.51 110.721 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.3 6.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 114.599 1.333 . . . . 71.54 114.599 -171.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.661 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.3 130.22 45.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.518 0.675 . . . . 75.32 111.628 -166.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.7 t -69.38 178.51 2.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.401 -1.272 . . . . 61.2 111.759 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -43.21 130.28 4.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.939 -1.028 . . . . 70.34 112.957 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.09 176.3 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.777 -1.102 . . . . 51.15 108.729 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -98.62 121.43 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.26 -0.274 . . . . 74.32 110.26 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.74 151.89 10.43 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.999 -0.546 . . . . 61.52 112.012 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -135.89 -38.21 0.72 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.363 -0.381 . . . . 74.33 111.59 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 144.85 142.32 3.84 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.585 -0.817 . . . . 52.42 113.49 176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -93.69 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.516 -0.55 . . . . 64.33 109.516 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.609 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 11.5 pt-20 -162.79 120.35 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 71.34 111.088 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.719 HG23 ' HB2' ' A' ' 68' ' ' ASN . 2.1 mp -64.75 86.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.527 0.679 . . . . 71.13 110.017 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.671 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.5 mtt180 -78.31 139.02 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.044 -0.98 . . . . 61.44 110.255 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 115.414 -0.812 . . . . 75.33 109.696 -172.481 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.892 0.377 . . . . 72.33 110.228 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.73 59.19 5.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.986 0.422 . . . . 63.04 110.559 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -64.45 95.49 0.14 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.827 -0.624 . . . . 73.32 110.223 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -94.72 167.05 11.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.627 -0.715 . . . . 74.33 110.399 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -140.42 138.98 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 72.12 109.875 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -61.18 117.78 6.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.966 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -109.3 11.22 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.313 0.486 . . . . 74.24 112.313 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -80.9 103.96 11.08 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.436 -0.579 . . . . 71.51 109.436 172.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.2 tpp -67.89 -60.78 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 63.23 110.242 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.88 149.21 9.81 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.447 -0.882 . . . . 74.43 113.197 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 p -143.79 115.41 8.15 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.066 0.546 . . . . 73.24 110.129 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -102.34 99.85 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 73.43 109.637 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -136.28 138.92 42.26 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.078 -0.51 . . . . 62.32 110.823 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.68 -166.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 75.13 109.377 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -151.26 -175.81 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.87 -0.419 . . . . 73.33 109.87 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.4 t -148.39 170.46 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 72.31 109.74 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -115.22 175.24 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 71.34 110.67 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.04 168.38 22.01 Favored Glycine 0 C--N 1.33 0.235 0 N-CA-C 111.359 -0.696 . . . . 71.43 111.359 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.54 -43.72 9.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.596 2.197 . . . . 74.15 112.466 -177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.89 -73.31 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.025 -0.607 . . . . 74.25 111.809 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.0 p 46.97 24.63 0.38 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.869 0.867 . . . . 73.15 112.937 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 22' ' ' MET . 0.4 OUTLIER -83.75 128.15 34.32 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.956 -0.387 . . . . 73.31 109.956 179.309 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -150.73 150.41 31.01 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.03 -0.532 . . . . 74.11 110.194 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.43 90.99 0.97 Allowed Glycine 0 C--N 1.329 0.181 0 C-N-CA 121.246 -0.502 . . . . 71.41 112.638 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -147.36 121.79 9.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.826 -0.435 . . . . 60.0 109.826 174.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.4 mtt -100.98 148.12 34.65 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 116.416 -0.356 . . . . 62.34 110.677 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -83.37 -171.11 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.044 2.496 . . . . 74.34 112.726 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 t -138.34 153.07 48.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.956 -0.565 . . . . 70.24 110.099 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -70.56 158.64 35.78 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.623 -0.51 . . . . 73.11 109.623 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.3 t -99.28 -54.75 2.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.868 0.366 . . . . 75.4 110.888 -175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.3 112.77 9.35 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.152 -0.477 . . . . 62.5 110.566 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.44 -31.51 21.36 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.612 -0.514 . . . . 74.21 109.612 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p -100.01 150.02 5.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.875 -0.602 . . . . 64.33 110.213 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -118.8 138.79 52.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 71.11 109.614 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.3 m -143.45 133.8 24.65 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.812 -0.44 . . . . 74.11 109.812 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.14 135.33 28.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 70.33 109.531 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 84.8 m -88.19 135.12 33.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.226 -0.657 . . . . 71.23 109.226 175.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.73 146.77 36.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.076 0.465 . . . . 74.21 111.007 -174.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -153.47 110.77 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.491 -0.929 . . . . 74.33 108.491 169.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.3 p -120.12 148.35 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.939 0.399 . . . . 72.44 110.896 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 31.1 p -101.19 148.27 25.29 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.513 ' HA3' HG22 ' A' ' 47' ' ' VAL . . . -121.06 146.47 17.42 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.893 -0.67 . . . . 41.4 112.926 -177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -63.98 -36.14 82.98 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.366 0.603 . . . . 54.14 110.051 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.22 167.4 15.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.367 -0.833 . . . . 73.31 109.436 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -67.56 -26.62 66.38 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.09 0.471 . . . . 75.34 110.857 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.41 59.03 4.96 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.061 -0.816 . . . . 52.52 111.061 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG12 ' HD1' ' A' ' 48' ' ' PHE . 19.2 t -63.58 -49.42 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.014 0.435 . . . . 73.2 111.505 -173.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.575 ' HD1' HG12 ' A' ' 47' ' ' VAL . 3.4 m-85 -126.93 140.11 52.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.873 -0.603 . . . . 63.04 111.136 -174.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.48 ' HD2' ' HB3' ' A' ' 96' ' ' SER . 81.0 m-85 -97.84 116.19 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.784 -0.644 . . . . 70.11 109.366 173.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -49.26 -41.1 36.75 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.239 0.615 . . . . 70.43 111.48 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -63.1 -39.51 94.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 63.52 110.983 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -74.11 -38.09 63.93 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.475 -0.33 . . . . 73.2 110.555 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 m -60.58 -47.07 87.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.158 -0.474 . . . . 73.23 109.916 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? -66.34 -42.82 87.58 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 115.804 -0.634 . . . . 52.34 110.683 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.96 -52.38 58.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.062 0.458 . . . . 65.33 110.509 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -62.27 -52.04 65.31 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.331 -0.85 . . . . 63.1 110.529 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.95 97.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.542 -0.754 . . . . 74.43 111.43 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.88 -46.32 72.03 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.929 0.395 . . . . 61.14 110.45 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.12 74.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.834 -0.621 . . . . 73.43 111.597 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.72 -11.58 50.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.248 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.7 m 67.84 51.9 0.76 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.353 0.596 . . . . 74.53 111.721 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.74 136.91 32.76 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.672 -0.694 . . . . 73.12 109.355 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 79' ' ' GLN . 22.8 m -111.29 158.78 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.195 -0.668 . . . . 63.31 109.195 175.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.62 -134.25 5.39 Favored Glycine 0 C--O 1.237 0.336 0 N-CA-C 110.852 -0.899 . . . . 63.55 110.852 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 151.34 6.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.087 0.444 . . . . 74.34 111.299 177.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.9 t -138.88 142.88 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 72.34 110.153 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 15.2 t -154.34 162.01 41.42 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 123.998 0.811 . . . . 62.0 110.436 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' HB2' HG23 ' A' ' 119' ' ' ILE . 12.0 t-20 -98.0 155.09 17.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.901 0.481 . . . . 73.4 111.075 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 13.5 m120 -117.24 161.05 20.11 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.198 -0.456 . . . . 74.0 110.413 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -53.5 -43.27 68.13 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.156 -0.475 . . . . 73.5 111.467 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.37 14.12 0.27 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.68 0.622 . . . . 73.01 112.68 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.11 33.82 61.96 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.281 -0.728 . . . . 64.4 111.281 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 69' ' ' ASN . 14.5 m -109.32 171.64 7.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.429 -0.386 . . . . 74.3 110.15 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.9 t -133.53 114.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.079 -0.711 . . . . 61.55 109.079 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.4 p -111.9 162.68 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.205 -0.452 . . . . 50.11 110.529 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.8 -166.21 38.45 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 53.55 112.502 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.405 HG22 ' SG ' ' A' ' 37' ' ' CYS . 57.9 t -138.16 137.27 44.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.832 -0.432 . . . . 74.14 109.832 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.56 138.58 45.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 N-CA-C 109.493 -0.558 . . . . 63.53 109.493 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.9 mt-30 -138.57 134.4 33.78 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.787 -0.449 . . . . 75.34 109.787 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.93 -170.01 35.99 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.241 -0.744 . . . . 73.2 111.241 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.4 Cg_endo -65.51 146.89 86.06 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.143 1.895 . . . . 73.32 111.296 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -46.67 -46.92 20.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 122.951 0.5 . . . . 71.14 111.374 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.39 -43.78 88.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.365 -0.379 . . . . 53.44 111.621 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.488 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.5 mp0 -74.44 -36.18 63.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.586 0.231 . . . . 73.41 110.816 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.05 -34.57 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.361 -0.607 . . . . 73.43 109.361 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 90' ' ' LYS . 10.4 t70 -67.08 -39.86 86.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.138 -0.937 . . . . 72.04 109.957 175.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.27 91.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.229 0.538 . . . . 62.15 110.281 174.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -66.63 -50.42 63.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.343 -0.844 . . . . 72.11 110.538 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 86' ' ' ASP . 9.8 p -63.04 -35.0 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.156 0.503 . . . . 71.34 109.989 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -60.27 -45.62 92.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.56 -0.745 . . . . 73.32 109.488 177.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -65.04 -39.4 93.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 71.31 110.275 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -40.11 91.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 60.14 110.389 -177.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.69 -28.78 67.59 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.206 0.526 . . . . 73.34 110.398 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -83.16 -37.54 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.457 -0.792 . . . . 75.41 109.48 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.58 -164.24 51.99 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 110.197 -1.161 . . . . 31.54 110.197 -169.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.617 ' HB2' ' OG ' ' A' ' 99' ' ' SER . 69.1 m -71.52 135.14 84.02 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.403 -0.962 . . . . 75.45 108.403 171.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -49.02 -23.24 5.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.27 2.647 . . . . 63.34 114.575 -169.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -117.79 10.2 13.19 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.077 0.399 . . . . 75.23 112.077 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 96' ' ' SER . 7.5 p -140.69 108.86 5.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.099 0.476 . . . . 65.2 110.355 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.3 t -77.48 138.59 20.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.715 -0.675 . . . . 74.34 111.48 -175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.3 m -91.05 146.21 6.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.559 . . . . 73.33 110.729 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 86.5 tttt -73.39 -53.14 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 64.2 110.333 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -168.16 140.18 2.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.038 -0.528 . . . . 72.44 110.397 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.5 p -98.79 148.53 6.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.85 0.357 . . . . 63.52 110.87 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.4 m -135.33 132.95 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.317 -0.623 . . . . 74.04 109.317 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.8 mm -125.5 153.25 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.655 0.265 . . . . 72.12 110.963 -173.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.6 m170 -132.65 153.99 50.55 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.802 0.334 . . . . 63.51 110.456 177.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.54 5.98 22.14 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.849 1.055 . . . . 71.54 113.849 -167.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.723 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.1 m -59.83 137.69 57.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.156 0.503 . . . . 75.32 111.974 -167.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -80.25 178.69 8.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.867 -1.061 . . . . 61.2 111.883 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -50.83 142.36 11.67 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.111 -0.949 . . . . 70.34 112.446 -172.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.28 176.29 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.681 -1.145 . . . . 51.15 109.183 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.16 131.65 35.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.629 -0.508 . . . . 74.32 109.629 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.9 153.74 30.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 61.52 111.786 -175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -121.39 -50.48 2.11 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.044 -0.525 . . . . 74.33 110.224 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 146.86 151.62 5.46 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.935 -0.65 . . . . 52.42 113.055 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -93.95 112.32 24.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.624 -0.51 . . . . 64.33 109.624 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.72 131.17 3.97 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.039 0.447 . . . . 71.34 110.634 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.443 HG23 ' HB2' ' A' ' 68' ' ' ASN . 36.4 mm -68.02 86.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.421 0.629 . . . . 71.13 110.579 -176.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.524 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 77.7 mtt180 -90.31 144.54 25.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.273 -0.876 . . . . 61.44 110.305 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.498 -0.763 . . . . 75.33 109.46 -179.071 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.905 0.383 . . . . 72.33 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.9 30.1 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 63.04 110.775 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -66.38 83.8 0.09 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.306 -0.406 . . . . 73.32 110.261 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -86.05 141.99 29.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 74.33 109.836 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -120.75 143.18 48.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.765 0.317 . . . . 72.12 110.325 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -128.79 108.63 10.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 74.41 109.829 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -155.58 142.21 18.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.445 -0.343 . . . . 74.24 110.25 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -80.86 155.49 26.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.0 -0.546 . . . . 71.51 110.382 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.67 177.16 3.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.091 -0.504 . . . . 63.23 109.994 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.66 172.15 33.26 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.282 -0.485 . . . . 74.43 112.271 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -148.13 157.12 43.33 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.069 0.548 . . . . 73.24 109.634 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.6 tp -69.43 -27.18 65.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.366 0.603 . . . . 73.43 109.559 173.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.25 102.55 1.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.387 -0.824 . . . . 62.32 110.25 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.13 152.68 33.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.13 109.821 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -156.16 176.98 11.96 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.935 0.398 . . . . 73.33 111.096 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 t -166.31 122.91 1.3 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.498 -0.774 . . . . 72.31 109.426 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -167.78 168.88 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 71.34 110.798 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.86 166.82 43.36 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.392 -0.683 . . . . 71.43 111.392 173.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.99 1.17 8.49 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.769 2.313 . . . . 74.15 112.558 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.13 44.01 6.11 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.098 -0.572 . . . . 74.25 111.767 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -124.68 105.36 9.26 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 110.095 -0.335 . . . . 73.15 110.095 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -138.26 148.93 45.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.359 -0.382 . . . . 73.31 110.149 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -113.29 101.47 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.565 -0.531 . . . . 74.11 109.565 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.83 -47.23 0.02 OUTLIER Glycine 0 CA--C 1.509 -0.317 0 N-CA-C 109.957 -1.257 . . . . 71.41 109.957 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.3 p -88.39 166.57 14.16 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.443 -0.947 . . . . 60.0 108.443 167.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.456 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 26.2 ptt? -77.1 109.47 9.21 Favored Pre-proline 0 C--O 1.235 0.34 0 N-CA-C 109.456 -0.572 . . . . 62.34 109.456 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 16.4 Cg_exo -67.7 110.89 2.22 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.828 2.352 . . . . 74.34 112.65 -173.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -91.64 150.2 21.27 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.602 -0.727 . . . . 70.24 109.347 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 m -59.77 101.72 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.268 0.556 . . . . 73.11 110.683 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -73.52 -24.22 60.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.434 -0.803 . . . . 75.4 111.136 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 1.1 pm0 -81.53 95.18 7.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.323 0.582 . . . . 62.5 109.673 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.8 -31.85 69.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.652 -0.704 . . . . 74.21 110.226 -177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.1 t -125.3 120.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.305 -0.998 . . . . 64.33 108.305 172.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.8 m -76.85 111.12 12.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.048 0.452 . . . . 71.11 110.017 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 79' ' ' GLN . 55.8 m -118.1 126.26 51.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.543 -0.753 . . . . 74.11 110.431 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -142.06 134.9 28.6 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.889 -0.782 . . . . 70.33 108.889 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 44.1 m -87.0 138.29 31.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.008 -0.367 . . . . 71.23 110.008 179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -111.79 140.04 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.327 -0.397 . . . . 74.21 110.303 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 52.8 ttp180 -149.31 114.68 5.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.246 -0.434 . . . . 74.33 109.894 176.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' HB ' ' A' ' 74' ' ' VAL . 9.9 p -111.57 142.0 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.021 -0.363 . . . . 72.44 110.021 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -106.67 133.77 50.83 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.724 -0.472 . . . . 74.2 109.724 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 101' ' ' VAL . . . -89.81 178.2 43.75 Favored Glycine 0 C--O 1.235 0.21 0 C-N-CA 121.162 -0.542 . . . . 41.4 111.772 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HD2' HG13 ' A' ' 44' ' ' VAL . 4.5 tmtm? -59.73 -63.0 1.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.528 -0.915 . . . . 54.14 108.528 172.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.578 HG13 ' HD2' ' A' ' 43' ' ' LYS . 19.5 m -123.01 -176.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.551 -0.75 . . . . 73.31 109.36 172.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -58.43 102.09 0.1 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.962 0.411 . . . . 75.34 110.386 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.26 178.83 17.71 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.839 -0.619 . . . . 52.52 111.96 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -112.75 163.63 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 73.2 111.1 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' HB2' HG21 ' A' ' 74' ' ' VAL . 4.5 t80 -108.35 -174.18 2.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.774 -0.824 . . . . 63.04 108.774 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -117.17 92.8 3.95 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.249 0.547 . . . . 70.11 111.644 -177.266 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -51.91 -42.26 62.63 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.088 -0.96 . . . . 70.43 111.279 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 39.1 ttmt -55.49 -54.04 48.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.638 -0.71 . . . . 63.52 111.139 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . 18.5 m-85 -74.35 -29.4 61.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 73.2 111.004 -174.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.9 m -64.14 -46.04 85.88 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.152 0.501 . . . . 73.23 109.821 174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.04 -51.07 71.63 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.554 -0.748 . . . . 52.34 110.174 177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 27.5 mtpp -59.53 -41.74 90.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 65.33 111.104 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.73 -55.73 27.1 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.128 0.49 . . . . 63.1 110.145 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.75 89.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.639 -0.709 . . . . 74.43 110.963 -178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -67.03 -37.77 84.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.137 -0.483 . . . . 61.14 110.735 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.43 -49.71 21.34 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.978 -0.555 . . . . 73.43 111.587 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.23 -2.4 58.58 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.213 -0.448 . . . . 74.52 111.981 -175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.8 t 67.87 46.88 1.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.78 0.432 . . . . 74.53 112.006 173.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -101.38 133.91 45.27 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.679 -0.489 . . . . 73.12 109.679 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -111.88 164.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.507 -0.553 . . . . 63.31 109.507 175.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.59 -129.95 3.49 Favored Glycine 0 C--O 1.24 0.472 0 C-N-CA 120.885 -0.674 . . . . 63.55 112.013 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.17 149.48 6.08 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.083 0.441 . . . . 74.34 111.365 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 37.1 t -138.85 147.88 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 116.556 -0.293 . . . . 72.34 110.358 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.1 t -160.67 161.93 32.49 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.666 0.604 . . . . 62.0 110.137 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.781 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.7 t-20 -95.34 154.01 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.793 -0.447 . . . . 73.4 109.793 178.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.99 146.7 49.77 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.509 -0.552 . . . . 74.0 109.509 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.28 -4.45 10.7 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.519 -0.309 . . . . 73.5 111.621 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.29 -2.42 24.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.494 -0.321 . . . . 73.01 110.746 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.48 39.97 20.43 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 110.91 -0.876 . . . . 64.4 110.91 -176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 p -143.32 151.24 40.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.401 -0.399 . . . . 74.3 110.603 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.8 t -110.21 124.11 66.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.099 -0.704 . . . . 61.55 109.099 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.4 t -129.91 156.36 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.875 0.369 . . . . 50.11 110.948 -173.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.53 35.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 116.003 -0.544 . . . . 53.55 111.961 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.7 t -136.36 137.84 47.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 122.458 0.303 . . . . 74.14 110.31 -178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.2 t -114.32 136.46 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 O-C-N 123.795 0.684 . . . . 63.53 109.729 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.464 ' HG2' HG23 ' A' ' 35' ' ' THR . 4.2 mt-30 -134.71 132.07 38.4 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.295 -0.631 . . . . 75.34 109.295 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.56 -159.45 31.32 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.2 -0.524 . . . . 73.2 111.952 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.6 Cg_endo -70.13 136.65 32.54 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.411 2.074 . . . . 73.32 111.455 174.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.672 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.0 -36.74 13.3 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.713 0.634 . . . . 71.14 112.713 -174.383 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.672 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 5.9 pt-20 -70.84 -39.69 72.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.635 0.235 . . . . 53.44 111.635 -176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.635 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.7 mp0 -75.02 -34.69 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.269 . . . . 73.41 110.367 178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.39 -40.6 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.987 -0.746 . . . . 73.43 108.987 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.569 ' O ' HG12 ' A' ' 89' ' ' VAL . 20.5 t70 -64.98 -35.94 82.8 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.305 -0.862 . . . . 72.04 110.212 175.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.28 94.95 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.386 0.613 . . . . 62.15 110.073 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -68.29 -38.25 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 72.11 110.499 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 86' ' ' ASP . 6.4 p -69.37 -35.06 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 120.607 -0.437 . . . . 71.34 110.339 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.03 -47.18 83.88 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.666 -0.494 . . . . 73.32 109.666 171.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.405 ' HH ' ' HE1' ' A' ' 49' ' ' PHE . 10.9 t80 -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 71.31 110.546 174.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -31.08 72.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 60.14 110.589 -178.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -65.87 -21.43 66.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.335 -0.393 . . . . 73.34 111.254 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -72.25 -26.57 62.05 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.378 -0.601 . . . . 75.41 109.378 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 65.48 -82.71 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.424 -0.807 . . . . 31.54 112.578 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -154.42 113.67 2.45 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 75.45 109.972 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.55 -4.54 11.06 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.631 2.221 . . . . 63.34 112.764 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -121.01 -1.11 9.89 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.492 -0.322 . . . . 75.23 110.977 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.4 m -144.94 -173.75 4.16 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.833 0.349 . . . . 65.2 111.351 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.0 t -120.09 127.73 75.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.99 -0.55 . . . . 74.34 110.554 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 24.2 m -105.33 132.76 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.61 -0.515 . . . . 73.33 109.61 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -74.76 -50.31 17.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 64.2 111.423 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.93 140.84 12.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.655 0.264 . . . . 72.44 111.536 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.97 141.82 16.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 63.52 109.793 173.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.6 m -137.81 144.58 41.58 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.643 -0.503 . . . . 74.04 109.643 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 mm -124.84 157.02 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.577 -0.527 . . . . 72.12 109.577 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 35.4 t-80 -133.98 147.03 50.96 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.994 0.426 . . . . 63.51 110.346 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.85 6.36 4.09 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.51 1.3 . . . . 71.54 114.51 -169.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.772 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 58.4 m -59.95 130.47 46.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.412 0.625 . . . . 75.32 111.678 -169.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 t -72.84 178.89 3.95 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 114.821 -1.081 . . . . 61.2 110.819 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.653 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 5.8 tmm_? -46.31 145.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.629 -0.714 . . . . 70.34 112.183 -172.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.653 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 35.3 m -139.79 175.88 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.843 -1.071 . . . . 51.15 109.422 -177.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -89.03 122.11 32.04 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.663 -0.495 . . . . 74.32 109.663 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.62 131.95 50.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.439 -0.346 . . . . 61.52 110.468 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -118.44 -28.95 5.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.629 -0.259 . . . . 74.33 111.134 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 129.45 141.33 5.04 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.005 -0.617 . . . . 52.42 113.087 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.408 ' HA ' ' H ' ' A' ' 66' ' ' VAL . 32.2 m-85 -92.35 111.79 23.49 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.694 -0.854 . . . . 64.33 108.694 176.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.4 pt-20 -163.74 128.21 2.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 71.34 111.157 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.781 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.7 mp -68.45 88.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.507 0.67 . . . . 71.13 109.847 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.542 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 92.0 mtt180 -87.68 139.87 30.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.012 -0.995 . . . . 61.44 110.804 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.146 -0.93 . . . . 75.33 109.101 179.371 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 110.021 -0.363 . . . . 72.33 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 78.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.225 0.536 . . . . 63.04 110.868 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -112.9 18.66 17.97 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.446 -0.946 . . . . 73.32 108.446 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -112.99 118.38 34.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.814 -1.084 . . . . 74.33 111.245 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -132.67 172.6 12.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.393 -0.595 . . . . 72.12 109.393 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.62 98.33 0.06 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.244 0.545 . . . . 74.41 111.076 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -87.44 63.54 7.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.232 0.539 . . . . 74.24 110.686 -178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -155.27 100.57 2.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.573 -0.74 . . . . 71.51 109.683 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.6 ttt -70.68 -55.49 8.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 63.23 110.456 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.36 113.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.035 -0.602 . . . . 74.43 112.37 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.8 p -78.45 137.42 37.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.637 0.256 . . . . 73.24 110.662 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -93.04 120.82 33.74 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.716 -0.846 . . . . 73.43 108.716 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -105.93 145.26 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.361 . . . . 62.32 110.21 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.36 159.5 39.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 75.13 110.205 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -89.33 -177.78 5.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.325 0.583 . . . . 73.33 111.605 -177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.3 m -147.41 133.6 19.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.477 -0.783 . . . . 72.31 109.146 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -93.29 172.98 7.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 71.34 110.925 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.1 174.82 16.12 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.789 -0.641 . . . . 71.43 112.114 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.85 -72.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.619 2.213 . . . . 74.15 112.388 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.97 26.79 61.32 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.455 -0.402 . . . . 74.25 112.913 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 p -90.48 -10.13 44.81 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.651 0.262 . . . . 73.15 111.603 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.0 mmt -65.81 107.62 1.87 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.083 0.468 . . . . 73.31 111.607 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -168.38 125.38 1.06 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.248 -0.887 . . . . 74.11 109.435 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.2 93.83 1.86 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.21 -0.519 . . . . 71.41 112.241 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -151.03 137.3 18.47 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.911 -0.403 . . . . 60.0 109.911 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 ptm -74.02 144.3 82.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.442 -0.345 . . . . 62.34 110.257 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.23 127.01 12.9 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.149 1.899 . . . . 74.34 111.055 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.61 168.67 4.55 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.944 0.402 . . . . 70.24 110.58 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -68.87 83.63 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.988 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -109.36 10.61 25.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.81 0.814 . . . . 75.4 108.868 170.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.29 35.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.676 -1.147 . . . . 62.5 110.452 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.95 -31.3 68.97 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.202 0.525 . . . . 74.21 109.682 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -100.34 96.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.993 -0.743 . . . . 64.33 108.993 171.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' HA ' ' A' ' 79' ' ' GLN . 94.7 m -81.18 128.1 33.39 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.076 -0.965 . . . . 71.11 109.624 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 m -121.44 129.32 52.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.446 -0.343 . . . . 74.11 110.294 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.35 139.72 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.976 -0.556 . . . . 70.33 109.525 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.3 t -89.86 134.88 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.751 -0.462 . . . . 71.23 109.751 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -111.8 143.77 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.6 0.36 . . . . 74.21 110.782 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.9 ttt180 -151.96 110.86 3.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.834 -0.621 . . . . 74.33 109.724 170.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.505 ' HB ' HD11 ' A' ' 92' ' ' LEU . 9.4 p -109.79 140.01 30.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.013 -0.736 . . . . 72.44 109.013 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 102' ' ' LYS . 8.8 m -107.81 149.63 28.0 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 116.372 -0.376 . . . . 74.2 110.088 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.55 133.29 11.58 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.154 -0.778 . . . . 41.4 111.154 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -60.83 -59.86 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.177 0.513 . . . . 54.14 109.804 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.0 p -123.01 94.74 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.613 -0.722 . . . . 73.31 110.072 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 52.94 86.53 0.04 OUTLIER 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.588 -0.733 . . . . 75.34 111.272 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.82 72.4 2.58 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.962 -0.563 . . . . 52.52 112.401 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.2 t -70.58 90.28 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 121.303 0.573 . . . . 73.2 109.471 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.629 ' HB3' HG12 ' A' ' 119' ' ' ILE . 20.3 t80 -70.58 121.79 18.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.024 -0.989 . . . . 63.04 110.382 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.85 87.88 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.329 -0.851 . . . . 70.11 112.547 -179.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' HB3' HD13 ' A' ' 119' ' ' ILE . 30.6 ptt180 -67.33 -23.15 65.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 115.572 -0.74 . . . . 70.43 110.815 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -59.17 -53.88 53.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.289 0.566 . . . . 63.52 109.874 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.78 -26.61 59.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.547 -0.751 . . . . 73.2 110.443 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.3 m -62.0 -43.02 99.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.148 0.499 . . . . 73.23 109.893 172.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -63.24 -48.6 77.53 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.471 -0.786 . . . . 52.34 109.562 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -52.62 -52.01 57.41 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.778 -0.646 . . . . 65.33 110.696 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.47 -56.65 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.158 -0.928 . . . . 63.1 110.925 -171.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -65.16 -36.55 84.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 74.43 111.127 -176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.16 -45.04 82.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.836 0.35 . . . . 61.14 110.645 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.27 -47.6 64.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.902 -0.59 . . . . 73.43 111.316 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.79 -11.05 59.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.904 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m 68.09 44.22 1.49 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.09 0.471 . . . . 74.53 111.598 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.8 mm? -78.78 134.02 37.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.654 -0.499 . . . . 73.12 109.654 173.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -105.79 154.1 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.055 -0.72 . . . . 63.31 109.055 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.72 -137.8 7.97 Favored Glycine 0 N--CA 1.453 -0.171 0 N-CA-C 111.275 -0.73 . . . . 63.55 111.275 -176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.19 150.18 6.32 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 117.252 0.526 . . . . 74.34 111.386 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -138.68 146.75 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.521 -0.548 . . . . 72.34 109.521 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.453 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 13.5 t -156.63 162.14 39.87 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 124.034 0.834 . . . . 62.0 110.019 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.735 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.3 t-20 -103.81 164.55 11.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.915 -0.402 . . . . 73.4 109.915 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.458 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 32.8 m-80 -132.16 148.53 52.47 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.885 -0.413 . . . . 74.0 109.885 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.93 -16.19 27.8 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.31 0.576 . . . . 73.5 110.619 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.5 -18.92 65.69 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.242 -0.89 . . . . 73.01 110.933 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.06 25.16 20.55 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.207 -0.521 . . . . 64.4 112.038 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.3 p -132.77 146.12 51.57 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.939 0.399 . . . . 74.3 110.66 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 48' ' ' PHE . 57.2 t -102.31 122.26 54.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 61.55 109.352 175.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.4 p -125.3 155.43 40.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.302 -0.408 . . . . 50.11 110.93 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.83 -167.26 37.47 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.169 -0.772 . . . . 53.55 111.169 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -140.72 135.99 34.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.7 -0.481 . . . . 74.14 109.7 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -113.47 140.92 31.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 109.875 -0.417 . . . . 63.53 109.875 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.568 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -141.24 141.67 33.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.096 -0.502 . . . . 75.34 110.06 176.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.69 -165.46 32.54 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.158 -0.777 . . . . 73.2 111.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 13.7 Cg_endo -59.31 144.25 99.46 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.355 2.037 . . . . 73.32 111.855 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -48.26 -44.88 33.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 71.14 111.665 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.18 -33.71 72.09 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.541 -0.3 . . . . 53.44 111.688 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.551 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.1 -43.37 53.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 73.41 110.537 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.1 t -57.55 -44.42 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.028 -0.73 . . . . 73.43 109.028 173.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.94 -40.54 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.266 -0.879 . . . . 72.04 110.466 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.33 90.72 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.021 -0.536 . . . . 62.15 110.563 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.503 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.3 t80 -65.44 -39.6 92.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.86 -0.609 . . . . 72.11 109.829 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.6 t -58.97 -42.34 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.075 0.464 . . . . 71.34 110.149 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -60.47 -47.71 84.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.606 -0.724 . . . . 73.32 109.661 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -60.5 -43.02 97.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.024 -0.989 . . . . 71.31 110.565 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.13 -41.77 99.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.75 -0.659 . . . . 60.14 110.398 -177.208 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -72.59 -14.2 61.56 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.985 -0.552 . . . . 73.34 111.582 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB2' ' NZ ' ' A' ' 94' ' ' LYS . 4.9 ttmp? -69.8 -31.57 69.55 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.376 -0.601 . . . . 75.41 109.376 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.81 179.96 52.1 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.617 -0.72 . . . . 31.54 112.913 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.7 m -82.78 129.86 60.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 109.904 -0.406 . . . . 75.45 109.904 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.62 -21.44 65.45 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.664 2.242 . . . . 63.34 112.912 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -121.33 10.57 10.6 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.542 0.21 . . . . 75.23 111.468 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -150.47 126.98 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 65.2 110.326 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.4 t -74.74 124.96 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.946 -0.57 . . . . 74.34 110.434 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.36 134.45 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 73.33 110.641 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 41' ' ' THR . 64.9 tttm -77.06 -35.11 56.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 64.2 109.633 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 4.1 ttmp? 179.66 142.95 0.15 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.521 -0.763 . . . . 72.44 110.211 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -107.06 134.48 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.461 -0.57 . . . . 63.52 109.461 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.9 m -135.72 131.54 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.262 -0.273 . . . . 74.04 110.262 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.7 mm -122.13 149.16 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.161 -0.681 . . . . 72.12 109.161 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.4 t60 -132.72 151.69 51.92 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.118 0.485 . . . . 63.51 111.298 -176.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.85 6.15 0.95 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.162 1.385 . . . . 71.54 114.624 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.8 m -59.58 130.28 46.1 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.409 0.549 . . . . 75.32 111.559 -165.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.6 t -74.83 178.88 5.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.954 -1.021 . . . . 61.2 111.938 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -42.47 120.84 1.78 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.233 1.013 . . . . 70.34 112.361 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.69 176.1 1.61 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.621 -0.718 . . . . 51.15 110.395 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.43 131.48 37.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.523 -0.547 . . . . 74.32 109.523 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.26 146.32 47.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.514 -0.312 . . . . 61.52 111.373 -176.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 20.7 t70 -131.96 -45.1 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.842 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.29 141.06 3.63 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 121.059 -0.591 . . . . 52.42 112.296 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -93.46 112.36 24.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.133 -0.321 . . . . 64.33 110.133 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 67' ' ' THR . 9.7 pt-20 -161.98 136.05 6.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 71.34 110.594 173.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.735 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -69.46 86.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.288 -1.005 . . . . 71.13 108.288 174.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.453 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 10.5 ttt85 -82.67 112.4 19.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.496 -1.229 . . . . 61.44 110.299 -174.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.461 -0.781 . . . . 75.33 109.565 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.5 pmm? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.587 0.232 . . . . 72.33 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.99 124.06 24.73 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.739 0.304 . . . . 63.04 110.36 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -111.77 117.14 32.04 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.076 -0.342 . . . . 73.32 110.076 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -70.14 101.88 1.95 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.073 0.463 . . . . 74.33 110.215 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -64.69 -29.2 70.19 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.119 -0.491 . . . . 72.12 110.943 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -87.9 127.5 35.36 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.836 -0.802 . . . . 74.41 108.836 174.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -69.24 -87.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.609 -0.269 . . . . 74.24 110.485 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 173.19 135.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.622 0.576 . . . . 71.51 109.704 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -96.41 116.25 28.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 63.23 110.461 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.04 73.73 1.7 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.364 -0.446 . . . . 74.43 111.99 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 p -69.86 116.76 10.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.91 0.337 . . . . 73.24 111.91 -176.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.13 154.07 21.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.864 -0.607 . . . . 73.43 109.725 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.69 170.14 21.4 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.66 0.267 . . . . 62.32 110.965 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 168.28 14.25 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.991 -0.55 . . . . 75.13 110.587 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -82.11 131.98 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 73.33 110.638 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 p -129.8 146.27 51.54 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.322 -0.399 . . . . 72.31 110.829 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -147.88 17.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.993 0.425 . . . . 71.34 110.421 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -73.62 143.5 32.69 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 115.84 -0.618 . . . . 71.43 111.565 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 57.7 Cg_endo -94.69 -165.19 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 123.234 2.622 . . . . 74.15 112.291 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.86 -161.08 16.71 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 115.723 -0.671 . . . . 74.25 111.757 -176.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -89.14 142.16 27.89 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.782 0.325 . . . . 73.15 111.377 -177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 13.1 tpt -79.84 88.63 5.25 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.371 -0.603 . . . . 73.31 109.371 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.34 113.69 25.3 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.987 -0.551 . . . . 74.11 111.077 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.22 160.84 17.44 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 111.609 -0.596 . . . . 71.41 111.609 176.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 p -147.97 159.23 44.1 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.809 0.338 . . . . 60.0 110.808 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.505 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 83.7 mtp -143.21 171.65 6.7 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 109.279 -0.638 . . . . 62.34 109.279 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 26' ' ' MET . 72.5 Cg_exo -49.93 113.18 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.026 1.817 . . . . 74.34 111.653 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -150.74 109.96 3.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.977 -0.556 . . . . 70.24 109.617 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 p -60.46 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.766 -0.652 . . . . 73.11 111.609 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 t -80.86 149.54 29.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.239 -0.652 . . . . 75.4 109.239 175.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -71.03 128.82 37.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 62.5 110.826 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -70.24 -31.02 68.24 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.712 -0.676 . . . . 74.21 110.866 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.0 t -97.83 100.36 10.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.323 -0.621 . . . . 64.33 109.323 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.3 m -92.12 152.72 19.78 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.277 -0.874 . . . . 71.11 110.286 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -142.99 131.5 22.34 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.353 -0.61 . . . . 74.11 109.353 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.52 140.77 33.54 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.653 -0.499 . . . . 70.33 109.653 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 46.1 t -87.09 133.58 33.6 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.263 -0.643 . . . . 71.23 109.263 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CE1' ' HB ' ' A' ' 78' ' ' VAL . 1.8 m-85 -111.58 139.32 47.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.098 -0.334 . . . . 74.21 110.098 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 28.8 ttt180 -156.66 111.06 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 74.33 109.883 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 HG22 ' A' ' 104' ' ' VAL . 14.4 p -108.04 149.75 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.292 -0.413 . . . . 72.44 110.259 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.4 p -113.23 120.83 42.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.069 -0.514 . . . . 74.2 109.83 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.19 155.65 46.11 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.015 -0.834 . . . . 41.4 111.015 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -54.04 -60.72 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 117.145 0.473 . . . . 54.14 110.161 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.76 95.09 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.72 -0.474 . . . . 73.31 109.72 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 51.95 92.09 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.755 0.66 . . . . 75.34 111.369 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.12 97.05 0.64 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.575 -0.739 . . . . 52.52 113.677 -172.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.65 131.34 34.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 108.371 -0.974 . . . . 73.2 108.371 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' ' 74' ' ' VAL . 2.3 t80 -109.55 141.73 41.63 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.705 0.288 . . . . 63.04 110.598 -171.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.2 86.47 0.57 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.438 0.637 . . . . 70.11 111.966 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -48.5 -47.2 39.0 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.004 -0.998 . . . . 70.43 111.975 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -64.46 -36.99 85.98 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.451 -0.34 . . . . 63.52 111.307 -173.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.91 -34.4 59.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.603 -0.271 . . . . 73.2 110.736 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.0 m -62.84 -42.11 99.61 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.325 0.583 . . . . 73.23 109.51 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -56.16 -56.52 19.86 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.077 -0.965 . . . . 52.34 110.047 175.246 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -52.92 -51.92 59.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.737 -0.665 . . . . 65.33 111.168 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.18 -59.47 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 63.1 110.877 -172.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.91 93.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.684 -0.689 . . . . 74.43 111.072 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' HE2' ' A' ' 54' ' ' LYS . 29.0 t70 -66.11 -36.3 82.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 61.14 110.904 -177.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.52 -49.34 49.23 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.345 -0.389 . . . . 73.43 111.318 -178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.25 -4.4 59.16 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.505 -0.316 . . . . 74.52 111.264 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.5 t 67.94 40.53 2.29 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.105 0.562 . . . . 74.53 111.348 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.12 133.68 37.81 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.585 -0.894 . . . . 73.12 108.585 170.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' A' ' 79' ' ' GLN . 32.1 m -110.9 156.21 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.734 -0.469 . . . . 63.31 109.734 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.63 6.24 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.906 -0.877 . . . . 63.55 110.906 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -166.96 149.13 6.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.236 0.518 . . . . 74.34 111.025 179.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -138.92 142.81 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.46 -0.336 . . . . 72.34 110.463 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -153.01 161.65 42.28 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 123.726 0.641 . . . . 62.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.461 ' HB2' HG23 ' A' ' 119' ' ' ILE . 14.9 t-20 -101.7 150.6 22.96 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.862 -0.422 . . . . 73.4 109.862 176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -123.54 148.31 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.83 -0.433 . . . . 74.0 109.83 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.65 -22.45 5.11 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 123.612 0.57 . . . . 73.5 111.774 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.52 -11.72 46.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.85 -0.614 . . . . 73.01 111.537 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.34 0.02 82.94 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.942 -0.647 . . . . 64.4 111.903 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.7 p -103.35 132.6 49.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 110.137 -0.32 . . . . 74.3 110.137 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 48' ' ' PHE . 29.3 t -92.73 128.46 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.72 -0.845 . . . . 61.55 108.72 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.1 p -133.59 149.27 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.003 0.43 . . . . 50.11 111.905 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.02 -166.32 34.29 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.45 -0.796 . . . . 53.55 111.244 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.9 t -140.56 139.09 35.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 117.022 0.411 . . . . 74.14 110.1 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 72.4 t -117.57 141.91 34.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.757 -0.46 . . . . 63.53 109.757 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -145.32 149.43 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.156 177.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.93 -156.44 26.68 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 111.447 -0.661 . . . . 73.2 111.447 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 33.3 Cg_endo -64.68 131.62 30.08 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.453 2.102 . . . . 73.32 111.474 177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -52.66 -27.69 18.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.333 -0.394 . . . . 71.14 111.478 -176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.0 -52.22 57.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.293 -0.412 . . . . 53.44 110.917 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.42 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -74.41 -35.47 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 73.41 110.702 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 89' ' ' VAL . 96.9 t -59.01 -44.47 91.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.472 -0.566 . . . . 73.43 109.472 173.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.84 -42.53 99.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.343 -0.844 . . . . 72.04 109.864 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.0 77.86 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.396 -0.82 . . . . 62.15 110.829 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.63 -34.74 74.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.742 -0.663 . . . . 72.11 109.832 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 85' ' ' VAL . 83.2 t -59.08 -50.74 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.173 -0.467 . . . . 71.34 110.468 174.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.78 -46.32 84.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.287 0.565 . . . . 73.32 109.702 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -55.27 -41.32 72.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.927 -1.033 . . . . 71.31 110.679 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -35.35 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 60.14 110.292 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -79.85 -11.36 59.82 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.671 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -76.73 -47.61 21.28 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.598 -0.519 . . . . 75.41 109.598 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.12 175.05 45.21 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.466 -0.788 . . . . 31.54 113.189 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.7 m -85.76 139.92 35.39 Favored Pre-proline 0 CA--C 1.534 0.329 0 N-CA-C 110.187 -0.301 . . . . 75.45 110.187 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.17 -44.26 50.98 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.223 2.615 . . . . 63.34 113.055 -174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -72.37 -26.38 61.87 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.815 0.34 . . . . 75.23 111.286 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.6 t -109.3 177.28 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.198 0.523 . . . . 65.2 111.706 -169.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.56 121.44 50.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.312 -0.858 . . . . 74.34 108.984 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.0 m -71.89 112.41 7.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.496 0.665 . . . . 73.33 110.267 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -73.48 -45.24 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 64.2 110.565 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -160.18 121.34 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 72.44 110.551 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 40' ' ' VAL . 63.1 t -91.31 139.73 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.885 -0.783 . . . . 63.52 108.885 173.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.6 m -137.08 122.52 19.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 74.04 110.189 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 mm -116.83 145.65 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.86 -0.793 . . . . 72.12 108.86 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 54.6 t60 -128.89 152.7 48.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.361 0.6 . . . . 63.51 111.422 -175.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.58 0.92 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.878 1.271 . . . . 71.54 114.299 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.1 m -59.18 135.41 57.63 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.476 0.655 . . . . 75.32 111.998 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.1 p -72.12 178.33 3.89 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.585 -1.189 . . . . 61.2 112.488 -172.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -54.02 134.48 43.57 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.438 -0.801 . . . . 70.34 112.01 -174.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.04 175.89 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.489 -0.778 . . . . 51.15 109.715 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -84.61 139.94 31.72 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.711 -0.477 . . . . 74.32 109.711 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.28 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.97 -0.559 . . . . 61.52 110.643 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 26.7 t70 -144.46 -47.84 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.572 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.86 143.83 4.06 Favored Glycine 0 C--O 1.239 0.409 0 C-N-CA 120.824 -0.703 . . . . 52.42 112.955 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -91.57 111.49 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.596 -0.89 . . . . 64.33 108.596 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -163.31 129.04 3.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 120.746 0.308 . . . . 71.34 110.505 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 48' ' ' PHE . 41.6 mm -66.96 86.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.446 0.641 . . . . 71.13 110.799 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.565 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 50.6 mtt180 -79.24 144.59 34.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.831 -1.077 . . . . 61.44 110.126 175.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.957 -0.565 . . . . 75.33 109.653 179.236 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.525 0.202 . . . . 72.33 110.611 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.21 149.84 17.83 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.833 -0.432 . . . . 63.04 109.833 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -135.24 138.66 43.77 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.322 -0.399 . . . . 73.32 109.964 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -77.84 68.75 3.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.443 0.64 . . . . 74.33 109.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -61.34 110.11 1.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.086 -0.961 . . . . 72.12 110.881 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.483 ' H ' ' CD2' ' A' ' 6' ' ' HIS . 4.7 p80 -97.3 100.59 12.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.272 -0.876 . . . . 74.41 110.085 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -73.42 125.76 28.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.328 -0.396 . . . . 74.24 110.737 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -159.0 139.83 12.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 71.51 109.81 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 ptm -119.17 144.1 46.86 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 63.23 110.724 -178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.63 107.4 2.8 Favored Glycine 0 C--N 1.329 0.143 0 N-CA-C 111.428 -0.669 . . . . 74.43 111.428 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -68.77 157.84 35.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.097 0.475 . . . . 73.24 111.393 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.6 pt? -133.07 156.69 46.94 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.135 -0.691 . . . . 73.43 109.135 177.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.21 -47.53 5.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 62.32 111.274 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.71 -179.34 4.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.479 -0.328 . . . . 75.13 110.805 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.95 -178.77 4.86 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.663 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.697 HG22 ' H ' ' A' ' 18' ' ' GLY . 29.2 m -148.13 140.58 24.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.868 -0.419 . . . . 72.31 109.868 178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -97.56 12.71 32.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.553 0.692 . . . . 71.34 110.373 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.697 ' H ' HG22 ' A' ' 16' ' ' THR . . . 100.74 -177.97 28.32 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 115.456 -0.793 . . . . 71.43 111.964 -176.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.75 -9.14 20.96 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.796 2.33 . . . . 74.15 112.531 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.25 155.98 31.14 Favored Glycine 0 C--N 1.331 0.284 0 CA-C-N 116.141 -0.481 . . . . 74.25 112.524 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -77.72 92.13 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.119 -0.326 . . . . 73.15 110.119 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.1 ttp -68.47 104.54 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 73.31 110.601 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.527 -0.76 . . . . 74.11 109.411 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.19 177.62 48.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 71.41 112.506 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -157.4 149.04 22.11 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.009 -0.738 . . . . 60.0 109.009 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.4 ttp -150.38 137.14 11.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 62.34 111.014 -176.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.75 157.48 60.27 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.945 2.43 . . . . 74.34 111.351 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t -84.66 100.1 11.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.835 0.35 . . . . 70.24 110.205 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 t -81.58 133.53 35.39 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 73.11 109.372 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.5 p -115.22 127.02 55.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.67 -0.241 . . . . 75.4 111.138 -175.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -88.72 138.87 31.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.611 -0.515 . . . . 62.5 109.611 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.22 -31.07 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 74.21 109.884 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.4 t -105.8 102.25 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 64.33 109.571 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.7 m -77.12 128.8 35.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.72 -0.673 . . . . 71.11 110.182 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 79' ' ' GLN . 93.1 m -124.12 132.11 53.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.343 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -144.24 134.35 24.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 70.33 109.409 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 50.2 m -87.22 138.51 31.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.953 -0.388 . . . . 71.23 109.953 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -111.87 144.8 40.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.989 0.423 . . . . 74.21 111.485 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -152.63 110.69 3.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.38 -0.827 . . . . 74.33 109.253 169.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.85 148.84 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.183 -0.462 . . . . 72.44 109.925 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 p -110.04 148.9 30.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.324 -0.398 . . . . 74.2 110.462 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.88 130.3 10.18 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.239 -0.505 . . . . 41.4 111.864 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -44.65 79.71 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 109.198 -0.667 . . . . 54.14 109.198 178.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.55 145.34 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 73.31 109.498 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.43 80.69 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.994 0.426 . . . . 75.34 110.519 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.55 148.33 19.47 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.065 -0.814 . . . . 52.52 111.065 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.69 148.43 10.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-O 121.203 0.525 . . . . 73.2 111.511 -177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.504 ' HB3' HG12 ' A' ' 119' ' ' ILE . 28.3 t80 -79.16 123.46 27.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.712 -0.847 . . . . 63.04 108.712 175.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' N ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -58.02 82.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.932 0.715 . . . . 70.11 112.932 -174.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HB2' HD13 ' A' ' 119' ' ' ILE . 55.0 ttp180 -58.14 -30.68 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.179 -0.919 . . . . 70.43 111.356 -178.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.72 -52.0 67.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.146 0.498 . . . . 63.52 110.403 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -78.5 -24.26 45.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.2 110.894 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -63.8 -45.9 87.6 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.454 -0.572 . . . . 73.23 109.454 171.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -60.63 -50.57 72.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.436 -0.802 . . . . 52.34 110.031 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -52.79 -52.21 57.69 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.233 -0.44 . . . . 65.33 111.08 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.31 -59.99 4.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.86 -0.609 . . . . 63.1 110.736 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.69 77.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 74.43 111.414 -175.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -73.77 -40.95 63.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.885 0.374 . . . . 61.14 110.64 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.29 71.39 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.12 -0.491 . . . . 73.43 111.133 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 61.0 mt -90.85 -10.04 44.15 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.257 -0.429 . . . . 74.52 111.752 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m 68.59 45.82 1.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.257 -0.429 . . . . 74.53 111.762 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.19 133.67 34.18 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.659 -0.867 . . . . 73.12 108.659 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.3 m -112.6 161.02 11.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.883 -0.414 . . . . 63.31 109.883 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.93 -132.06 4.38 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.251 -0.74 . . . . 63.55 111.251 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.15 148.21 5.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.199 0.499 . . . . 74.34 111.057 178.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -138.94 144.79 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.246 -0.434 . . . . 72.34 110.383 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.0 t -156.2 161.9 40.24 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.813 0.845 . . . . 62.0 109.48 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.46 ' HB2' HG23 ' A' ' 119' ' ' ILE . 28.9 t-20 -120.24 159.48 24.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.788 0.327 . . . . 73.4 110.621 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -127.54 162.59 26.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 74.0 110.388 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.54 -26.14 12.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.771 -0.65 . . . . 73.5 112.285 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.37 -3.31 16.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.548 -0.297 . . . . 73.01 111.178 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.32 22.47 67.71 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.004 -0.838 . . . . 64.4 111.004 -176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.6 p -103.52 130.32 50.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.357 -0.421 . . . . 74.3 110.813 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.25 115.9 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -123.12 153.68 39.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.386 -0.37 . . . . 50.11 110.967 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.48 -159.67 31.41 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 111.777 -0.529 . . . . 53.55 111.777 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 59.5 t -140.58 140.62 33.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 109.936 -0.394 . . . . 74.14 109.936 178.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.92 142.75 25.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 109.36 -0.607 . . . . 63.53 109.36 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HB2' HG23 ' A' ' 63' ' ' VAL . 4.7 mt-30 -143.51 135.5 26.69 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.458 -0.571 . . . . 75.34 109.458 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.11 -163.7 32.96 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.845 -0.693 . . . . 73.2 112.253 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 38.2 Cg_endo -66.34 136.17 42.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.37 2.046 . . . . 73.32 110.982 177.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -20.87 35.26 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.714 0.265 . . . . 71.14 111.714 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.88 -51.74 56.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.438 0.637 . . . . 53.44 110.327 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.553 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.6 mp0 -75.24 -30.71 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.248 -0.887 . . . . 73.41 110.853 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.36 -40.11 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.401 -0.592 . . . . 73.43 109.401 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.535 ' O ' HG12 ' A' ' 89' ' ' VAL . 14.0 t70 -59.98 -47.35 86.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.551 -0.749 . . . . 72.04 109.874 173.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.54 -43.26 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.39 -0.823 . . . . 62.15 110.751 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -67.69 -44.95 76.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.461 -0.791 . . . . 72.11 111.063 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.1 p -64.79 -37.63 80.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.749 0.309 . . . . 71.34 110.333 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -65.37 -42.59 92.55 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.798 0.332 . . . . 73.32 110.181 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -56.6 -40.75 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 71.31 109.992 174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -35.25 76.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.451 -0.795 . . . . 60.14 110.3 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -62.52 -22.46 66.31 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.997 -0.547 . . . . 73.34 111.119 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -73.86 -57.41 4.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.912 0.387 . . . . 75.41 110.121 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.48 33.01 Favored Glycine 0 C--N 1.33 0.248 0 CA-C-N 115.864 -0.607 . . . . 31.54 112.68 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.759 ' HB3' ' HB3' ' A' ' 99' ' ' SER . 33.4 t -90.1 141.41 27.85 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 109.57 -0.53 . . . . 75.45 109.57 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.18 -44.83 40.45 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.016 2.477 . . . . 63.34 113.045 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -102.85 5.18 38.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.401 -0.363 . . . . 75.23 111.267 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.759 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 22.7 t -134.6 81.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.121 -0.696 . . . . 65.2 109.121 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.3 129.89 32.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.183 -0.917 . . . . 74.34 109.925 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.17 122.32 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.516 0.674 . . . . 73.33 111.45 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -73.33 -45.56 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.251 -0.886 . . . . 64.2 108.774 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -168.25 137.79 2.47 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 114.921 -1.036 . . . . 72.44 109.646 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.89 139.23 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.032 -0.358 . . . . 63.52 110.032 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.3 m -135.72 132.78 37.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.084 -0.339 . . . . 74.04 110.084 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -120.45 151.99 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.677 -0.49 . . . . 72.12 109.677 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 17.2 t60 -130.48 147.62 52.2 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.015 0.436 . . . . 63.51 110.808 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.95 5.51 6.45 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.657 1.355 . . . . 71.54 114.657 -168.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.707 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 61.5 m -59.65 130.21 45.7 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.429 0.559 . . . . 75.32 112.003 -170.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.2 t -74.29 178.81 4.9 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.286 -0.87 . . . . 61.2 111.487 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -42.79 131.32 4.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.405 -0.816 . . . . 70.34 112.94 -171.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.37 176.31 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.305 -0.861 . . . . 51.15 109.85 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.33 120.89 27.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.338 -0.245 . . . . 74.32 110.338 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.71 155.07 39.05 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.871 0.367 . . . . 61.52 111.387 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 31.5 t70 -133.47 -48.6 0.83 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.876 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.16 144.3 3.91 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.995 -0.622 . . . . 52.42 113.048 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -91.44 112.4 24.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.572 -0.529 . . . . 64.33 109.572 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 9.9 pt-20 -162.86 125.33 2.69 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 120.972 -0.291 . . . . 71.34 110.95 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 50' ' ' ARG . 1.7 mp -63.76 87.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 71.13 109.838 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 87.0 mtt180 -84.86 144.67 28.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.524 -1.216 . . . . 61.44 111.086 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.494 -0.775 . . . . 75.33 109.014 174.647 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.749 0.309 . . . . 72.33 110.185 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.21 159.19 44.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 63.04 110.052 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -141.01 175.71 9.4 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.104 -0.332 . . . . 73.32 110.104 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -71.55 91.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.101 0.476 . . . . 74.33 111.015 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -123.05 88.33 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 72.12 108.989 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -111.21 106.47 15.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.02 -0.536 . . . . 74.41 109.775 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -76.66 135.1 39.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.503 -0.317 . . . . 74.24 110.289 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -175.56 125.58 0.23 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.631 -0.507 . . . . 71.51 109.631 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.42 176.3 8.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.612 0.244 . . . . 63.23 111.097 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.86 99.06 2.08 Favored Glycine 0 C--N 1.332 0.354 0 CA-C-N 116.188 -0.46 . . . . 74.43 113.253 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -86.61 136.1 33.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.228 -0.286 . . . . 73.24 110.228 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.5 pt? -142.17 173.95 11.05 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.59 0.233 . . . . 73.43 110.732 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -160.63 167.52 26.83 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.235 -0.439 . . . . 62.32 110.649 -176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.92 125.56 2.7 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.098 -0.501 . . . . 75.13 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -64.03 153.43 37.37 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.121 0.486 . . . . 73.33 111.856 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 p -95.91 175.93 6.31 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.741 -0.663 . . . . 72.31 110.365 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -112.84 -169.77 1.54 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.223 0.209 . . . . 71.34 111.033 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.78 154.59 21.01 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.98 -0.448 . . . . 71.43 111.98 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.99 -79.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 122.944 2.429 . . . . 74.15 113.173 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 -144.95 13.26 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.976 -0.63 . . . . 74.25 111.95 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.9 m -157.42 133.3 9.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.485 0.314 . . . . 73.15 110.43 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.411 ' SD ' ' N ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -119.11 162.0 19.35 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 110.097 -0.334 . . . . 73.31 110.097 175.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -115.24 155.12 27.81 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.371 -0.377 . . . . 74.11 110.042 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.79 -135.07 3.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.223 -0.513 . . . . 71.41 112.142 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.7 t -142.46 -168.4 2.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.19 -0.3 . . . . 60.0 110.19 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -135.26 143.33 45.13 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.551 -0.295 . . . . 62.34 110.481 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.4 167.65 25.3 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.646 2.231 . . . . 74.34 111.864 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -133.76 100.49 4.78 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.431 -0.35 . . . . 70.24 110.89 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 p -77.16 109.86 11.37 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.163 0.506 . . . . 73.11 110.162 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -86.22 75.64 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 75.4 110.595 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -86.34 116.54 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 62.5 110.584 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.044 0.45 . . . . 74.21 110.246 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.38 129.65 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.799 -0.637 . . . . 64.33 109.74 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -86.1 110.81 19.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.142 -0.481 . . . . 71.11 109.987 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 79' ' ' GLN . 85.6 m -119.23 124.43 46.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.76 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 35' ' ' THR . 3.3 mm? -134.29 135.98 43.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.853 -0.795 . . . . 70.33 108.853 176.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.82 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 36.6 m -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.637 -0.505 . . . . 71.23 109.637 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.64 147.66 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.323 -0.399 . . . . 74.21 111.067 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -157.56 110.78 2.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.419 -0.809 . . . . 74.33 109.346 168.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -117.39 146.59 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.305 -0.407 . . . . 72.44 109.935 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.1 t -114.15 152.51 31.04 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.301 0.572 . . . . 74.2 110.968 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.85 154.06 20.49 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.08 -0.964 . . . . 41.4 112.419 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 -43.57 9.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.592 -0.892 . . . . 54.14 108.592 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.74 144.6 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.265 -0.88 . . . . 73.31 109.511 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.16 112.65 2.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.04 0.447 . . . . 75.34 110.466 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.48 162.85 35.26 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.764 -0.653 . . . . 52.52 111.565 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.18 166.4 2.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.059 0.456 . . . . 73.2 110.993 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -103.04 126.3 50.16 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.092 -0.707 . . . . 63.04 109.092 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -60.47 80.92 0.01 OUTLIER 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.753 0.649 . . . . 70.11 112.753 -176.281 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HB2' HG12 ' A' ' 119' ' ' ILE . 31.5 ttp180 -56.14 -42.63 77.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.422 -0.808 . . . . 70.43 111.032 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.36 -52.09 65.88 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.91 -0.586 . . . . 63.52 111.148 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -73.38 -32.89 64.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.878 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -64.34 -45.7 86.71 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.035 0.445 . . . . 73.23 110.791 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.41 -40.31 77.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.034 -0.53 . . . . 52.34 109.987 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -57.38 -44.88 84.85 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.412 0.625 . . . . 65.33 110.175 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -58.08 -51.69 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.084 -0.962 . . . . 63.1 110.001 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.08 97.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.318 -0.855 . . . . 74.43 111.416 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.82 -45.49 92.19 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.172 0.511 . . . . 61.14 110.71 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.12 43.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 73.43 111.494 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -83.8 -4.0 58.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.343 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m 67.88 44.61 1.52 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.981 0.513 . . . . 74.53 112.225 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.57 133.88 35.53 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.528 -0.545 . . . . 73.12 109.528 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -111.94 160.73 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.294 -0.632 . . . . 63.31 109.294 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.75 -135.27 6.22 Favored Glycine 0 CA--C 1.507 -0.413 0 N-CA-C 110.482 -1.047 . . . . 63.55 110.482 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.23 158.44 11.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.222 0.511 . . . . 74.34 111.349 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' ' HA ' ' A' ' 117' ' ' PHE . 5.5 t -138.69 148.98 23.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.784 -0.45 . . . . 72.34 109.784 175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -154.9 161.68 41.35 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 124.437 1.085 . . . . 62.0 109.781 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.542 ' HB2' HG23 ' A' ' 119' ' ' ILE . 15.2 t-20 -95.51 155.6 16.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.789 0.328 . . . . 73.4 110.786 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -121.14 146.37 46.83 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.741 -0.837 . . . . 74.0 108.741 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.88 -13.43 62.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.291 0.567 . . . . 73.5 109.878 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.69 -10.4 36.16 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.53 -0.759 . . . . 73.01 111.09 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.6 26.33 39.19 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 110.817 -0.913 . . . . 64.4 110.817 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.0 p -127.21 146.96 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.24 -0.48 . . . . 74.3 110.475 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.23 121.28 57.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.35 -0.611 . . . . 61.55 109.35 175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -117.95 161.33 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.751 0.31 . . . . 50.11 110.839 -175.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.23 -165.41 38.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.221 -0.514 . . . . 53.55 111.94 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 44.2 t -140.62 140.2 34.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.826 -0.435 . . . . 74.14 109.826 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.77 140.39 41.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 109.287 -0.634 . . . . 63.53 109.287 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.8 mt-30 -141.93 132.16 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.489 -0.56 . . . . 75.34 109.489 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.4 -163.32 33.9 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.928 -0.469 . . . . 73.2 111.928 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.85 136.24 34.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.697 2.265 . . . . 73.32 110.96 175.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -55.02 -22.66 16.26 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.368 0.507 . . . . 71.14 112.368 -172.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.18 -51.25 32.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.145 0.498 . . . . 53.44 110.178 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.63 -33.01 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 73.41 109.998 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.8 t -60.35 -43.44 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.263 -0.643 . . . . 73.43 109.263 172.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.51 -37.78 87.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.042 -0.526 . . . . 72.04 110.183 176.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.72 87.86 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.245 0.545 . . . . 62.15 110.135 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -70.74 -36.85 73.35 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.324 -0.853 . . . . 72.11 110.278 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.9 t -62.18 -47.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.79 -0.448 . . . . 71.34 109.79 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 55.5 tptt -57.45 -44.11 84.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.695 -0.684 . . . . 73.32 109.922 177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.748 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 57.4 t80 -61.77 -38.89 89.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.732 -0.667 . . . . 71.31 110.431 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -42.51 85.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 60.14 110.117 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.88 -25.22 67.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.954 -0.566 . . . . 73.34 110.878 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.748 ' HD3' ' HA ' ' A' ' 91' ' ' TYR . 53.8 mtpt -63.46 -46.51 85.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.704 -0.48 . . . . 75.41 109.704 174.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.03 -179.35 38.92 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.662 -0.699 . . . . 31.54 112.862 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 99' ' ' SER . 41.6 t -72.51 145.94 88.19 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.273 -0.269 . . . . 75.45 110.273 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 18.4 Cg_exo -67.09 -24.18 45.22 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.69 2.26 . . . . 63.34 112.312 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -116.56 -26.58 7.01 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.203 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 96' ' ' SER . 4.4 m -101.96 99.72 9.93 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.815 -0.439 . . . . 65.2 109.815 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 60.2 t -73.24 134.2 30.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.368 -0.378 . . . . 74.34 109.994 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.55 149.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 73.33 110.776 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.542 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -97.63 -36.84 10.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.498 . . . . 64.2 110.267 177.603 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -169.26 138.01 1.99 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.672 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 p -106.67 133.87 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.604 . . . . 63.52 109.683 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.4 m -128.92 120.4 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.63 -0.507 . . . . 74.04 109.63 -172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 36' ' ' LEU . 21.6 mm -111.11 154.9 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.211 -175.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.5 m-70 -126.53 145.81 50.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.919 0.39 . . . . 63.51 110.559 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.47 5.71 4.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.342 1.057 . . . . 71.54 113.324 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.82 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 51.4 m -59.95 138.59 57.8 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.179 0.514 . . . . 75.32 112.06 -168.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 112' ' ' VAL . 14.9 p -81.28 178.75 8.2 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.969 -1.014 . . . . 61.2 112.692 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -44.21 132.4 5.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.161 0.985 . . . . 70.34 112.933 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 110' ' ' SER . 35.6 m -132.18 176.06 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.616 -0.72 . . . . 51.15 110.546 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -76.74 123.5 26.27 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 110.013 -0.366 . . . . 74.32 110.013 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.59 138.91 36.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 61.52 111.201 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 -52.23 2.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 74.33 110.555 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.03 146.4 4.31 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.023 -0.535 . . . . 52.42 112.412 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.425 ' HA ' ' N ' ' A' ' 66' ' ' VAL . 13.7 m-85 -90.31 112.07 23.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.181 -0.674 . . . . 64.33 109.181 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 10.0 pt-20 -154.52 169.78 22.99 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.587 -0.445 . . . . 71.34 110.844 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.611 HG12 ' HB2' ' A' ' 50' ' ' ARG . 33.6 mm -100.95 86.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.496 0.665 . . . . 71.13 109.906 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.494 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 51.7 mtt85 -80.4 140.72 35.89 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.872 -1.058 . . . . 61.44 109.955 174.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.785 -0.82 . . . . 75.33 108.785 178.693 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.931 -0.396 . . . . 72.33 109.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.84 135.69 37.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.421 -0.354 . . . . 63.04 110.53 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -97.61 136.78 37.51 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.902 -0.407 . . . . 73.32 109.902 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -87.74 145.44 26.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 74.33 110.346 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -109.75 178.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 72.12 110.637 -173.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -135.87 123.55 22.37 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.041 -0.355 . . . . 74.41 110.041 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -91.54 109.24 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 -0.289 . . . . 74.24 110.313 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -72.22 147.48 46.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.711 0.291 . . . . 71.51 110.599 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -153.09 177.06 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 63.23 110.369 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.64 135.35 1.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.747 -0.541 . . . . 74.43 111.747 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.9 p -72.57 144.47 47.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.823 0.344 . . . . 73.24 111.012 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 13' ' ' GLU . 56.9 tp -86.33 165.32 16.5 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.739 -177.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 11.8 tp10 -129.4 140.78 51.23 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.861 -0.792 . . . . 62.32 108.861 177.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.85 167.71 14.85 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.977 0.418 . . . . 75.13 111.793 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -121.04 167.23 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 73.33 110.228 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.0 p -100.62 166.3 10.97 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.534 -0.303 . . . . 72.31 111.095 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -83.66 149.25 26.64 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.103 -0.499 . . . . 71.34 110.318 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.69 -178.64 40.9 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 121.264 -0.493 . . . . 71.43 112.631 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.98 -15.17 14.95 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.962 2.441 . . . . 74.15 112.708 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.16 -130.55 9.37 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.214 -0.517 . . . . 74.25 112.078 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -154.2 146.15 23.55 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.805 0.336 . . . . 73.15 111.044 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.3 ttp -132.84 156.94 46.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.925 -0.58 . . . . 73.31 109.441 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -71.09 179.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 74.11 110.802 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.7 -147.22 4.83 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.216 -0.516 . . . . 71.41 112.387 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.4 p -135.23 168.17 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.745 0.307 . . . . 60.0 110.948 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 88.3 mtp -136.38 129.19 17.62 Favored Pre-proline 0 C--O 1.235 0.318 0 N-CA-C 109.459 -0.571 . . . . 62.34 109.459 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.88 129.85 15.96 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.319 2.012 . . . . 74.34 112.145 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -83.03 82.97 8.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.06 0.457 . . . . 70.24 110.537 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 t -161.86 150.29 15.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.701 -0.681 . . . . 73.11 109.706 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -174.35 162.11 3.53 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.522 -0.548 . . . . 75.4 109.522 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.71 135.68 56.79 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.276 -0.638 . . . . 62.5 109.276 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -69.55 -31.67 70.01 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.092 0.472 . . . . 74.21 110.413 -173.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t -117.19 94.1 2.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.98 -1.119 . . . . 64.33 107.98 167.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.6 m -76.86 124.46 27.76 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.901 -1.045 . . . . 71.11 110.122 -171.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 79' ' ' GLN . 91.2 m -121.88 126.33 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.75 -0.659 . . . . 74.11 109.863 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.8 mt -140.7 133.15 28.47 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.26 -0.644 . . . . 70.33 109.26 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 29.9 t -85.29 137.89 32.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.829 -0.434 . . . . 71.23 109.829 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 5.1 m-85 -111.32 145.64 38.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.845 0.355 . . . . 74.21 110.634 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -154.97 110.81 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.547 -0.751 . . . . 74.33 109.676 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 103' ' ' LYS . 10.6 p -119.05 145.7 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.73 -0.47 . . . . 72.44 109.73 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.2 p -107.73 118.9 37.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.368 . . . . 74.2 110.395 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.58 129.59 9.39 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.962 -0.637 . . . . 41.4 111.626 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -82.58 -5.56 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.568 0.699 . . . . 54.14 109.68 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.6 m -99.17 -176.14 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 114.943 -1.026 . . . . 73.31 110.471 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -76.67 37.92 0.18 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.358 0.503 . . . . 75.34 112.358 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.67 26.43 56.5 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.214 -0.517 . . . . 52.52 114.003 173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.66 127.6 43.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 117.278 0.539 . . . . 73.2 110.384 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.483 ' HD2' HD11 ' A' ' 119' ' ' ILE . 7.6 t80 -134.65 168.55 18.79 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.233 -1.025 . . . . 63.04 108.233 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . 5.0 p90 -71.56 75.4 0.8 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.783 0.801 . . . . 70.11 112.398 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.624 ' NH1' ' HB2' ' A' ' 118' ' ' GLU . 4.3 tpt180 -59.09 151.84 21.53 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.041 -0.982 . . . . 70.43 108.843 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.2 mttp 71.32 -62.4 0.46 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.855 0.462 . . . . 63.52 110.149 -170.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' ' 49' ' ' PHE . 57.5 m-85 -55.13 -33.93 63.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 73.2 112.007 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 m -55.23 -53.57 54.35 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.445 0.64 . . . . 73.23 110.564 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -71.19 -40.83 70.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.38 -0.827 . . . . 52.34 109.042 -176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 11.8 tmtt? -53.47 -52.0 60.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.725 . . . . 65.33 110.532 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 54.7 tp10 -65.88 -52.25 51.83 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.011 -0.54 . . . . 63.1 110.452 -176.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.89 -48.14 78.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 74.43 110.619 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.08 -36.31 83.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 61.14 111.032 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.67 -47.66 58.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.358 -0.383 . . . . 73.43 111.274 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.83 -3.36 56.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.312 -0.404 . . . . 74.52 110.704 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.2 t 68.86 37.98 2.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.836 -0.62 . . . . 74.53 111.539 172.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 84' ' ' GLN . 2.1 mm? -87.2 133.52 33.64 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.945 -0.761 . . . . 73.12 108.945 169.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.5 m -109.47 163.55 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.473 -0.566 . . . . 63.31 109.473 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 -135.18 6.77 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 111.171 -0.772 . . . . 63.55 111.171 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.08 148.95 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.027 0.413 . . . . 74.34 111.294 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 t -138.74 142.01 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.735 -0.469 . . . . 72.34 109.735 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.1 t -148.64 161.73 41.13 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 124.08 0.862 . . . . 62.0 109.659 176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 119' ' ' ILE . 4.3 t-20 -100.63 155.76 17.69 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.577 -0.527 . . . . 73.4 109.577 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.401 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.5 m-80 -119.73 150.54 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.769 -0.826 . . . . 74.0 108.769 176.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.72 -4.08 21.87 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.324 0.583 . . . . 73.5 110.285 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.97 -7.86 53.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.706 -0.679 . . . . 73.01 110.207 172.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.19 4.63 71.23 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.909 -0.587 . . . . 64.4 111.735 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 p -106.68 135.62 47.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 74.3 110.942 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.3 t -96.42 129.42 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.809 -0.811 . . . . 61.55 108.809 173.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.8 m -137.94 151.41 47.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.049 0.452 . . . . 50.11 111.231 -175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -178.87 -164.69 32.07 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.639 -0.71 . . . . 53.55 111.373 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 56.5 t -136.94 140.23 43.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.948 -0.39 . . . . 74.14 109.948 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.06 143.45 28.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 109.643 -0.503 . . . . 63.53 109.643 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.528 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.8 mt-30 -142.91 134.99 27.17 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.484 -0.562 . . . . 75.34 109.484 -178.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.15 -170.85 38.74 Favored Glycine 0 C--O 1.228 -0.22 0 C-N-CA 121.096 -0.573 . . . . 73.2 111.986 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 18.8 Cg_endo -60.66 147.03 96.12 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.309 2.006 . . . . 73.32 111.638 176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 7.5 tmtm? -47.2 -47.81 24.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.11 -0.496 . . . . 71.14 111.482 -176.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.67 -35.54 77.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 53.44 111.831 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.533 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -75.16 -38.61 60.86 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.698 0.285 . . . . 73.41 110.659 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.85 -38.02 80.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 109.289 -0.634 . . . . 73.43 109.289 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.93 -36.88 84.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.095 -0.957 . . . . 72.04 109.236 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' GLN . . . -60.47 -42.76 96.89 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.596 -0.729 . . . . 62.15 110.43 174.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -65.98 -45.6 81.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 72.11 110.931 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.46 ' HB ' ' OH ' ' A' ' 38' ' ' TYR . 8.6 p -66.73 -38.91 82.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 120.983 0.42 . . . . 71.34 110.318 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -63.06 -42.24 99.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 73.32 109.996 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.8 -40.98 88.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.498 -0.773 . . . . 71.31 110.388 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.924 -0.58 . . . . 60.14 110.062 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -64.77 -11.06 32.5 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.059 -0.519 . . . . 73.34 111.762 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 94' ' ' LYS . 3.0 mmmp? -83.23 -19.47 36.38 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.852 0.358 . . . . 75.41 110.496 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.47 -168.29 51.21 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.111 -0.495 . . . . 31.54 112.665 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.722 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 17.8 m -103.23 145.26 30.26 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 109.962 -0.384 . . . . 75.45 109.962 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.72 -47.02 10.04 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 123.473 2.782 . . . . 63.34 114.262 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -108.52 10.36 27.23 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.895 0.332 . . . . 75.23 111.895 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.722 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.8 t -115.8 148.62 39.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.032 0.444 . . . . 65.2 110.96 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.1 109.78 29.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.775 -0.648 . . . . 74.34 109.701 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.4 m -81.25 111.48 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.282 0.563 . . . . 73.33 110.409 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.69 -54.7 7.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 64.2 109.653 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.566 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . 8.9 mtpm? -134.4 124.97 26.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.667 -0.697 . . . . 72.44 110.47 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.1 p -105.78 109.04 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.513 -0.921 . . . . 63.52 108.513 170.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 m -122.09 130.94 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.138 -169.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.3 mm -114.09 152.35 15.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.243 -0.651 . . . . 72.12 109.243 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.4 t60 -131.95 147.31 52.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.094 0.473 . . . . 63.51 110.814 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.17 6.54 0.94 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.803 1.409 . . . . 71.54 114.803 -171.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.9 m -59.5 130.11 45.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.194 0.521 . . . . 75.32 111.276 -169.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.7 p -78.26 178.41 7.66 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.16 -0.927 . . . . 61.2 111.956 -173.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -48.13 139.15 8.61 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.022 0.749 . . . . 70.34 113.022 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.42 176.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.023 -0.989 . . . . 51.15 109.71 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -85.31 139.2 31.78 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.835 -0.432 . . . . 74.32 109.835 172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.3 159.55 28.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 61.52 111.592 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -138.4 -45.76 0.5 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.105 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.4 139.58 3.12 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 120.843 -0.694 . . . . 52.42 112.913 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.39 112.17 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.924 -0.399 . . . . 64.33 109.924 177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.624 ' HB2' ' NH1' ' A' ' 50' ' ' ARG . 10.6 pt-20 -162.7 136.22 6.05 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.558 -0.457 . . . . 71.34 111.211 174.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.483 HD11 ' HD2' ' A' ' 48' ' ' PHE . 30.8 mm -70.44 86.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.621 0.724 . . . . 71.13 109.657 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 59.9 mtt180 -73.78 123.66 24.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.9 -1.046 . . . . 61.44 111.469 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 . . . . . 0 C--O 1.252 1.197 0 CA-C-N 114.424 -1.262 . . . . 75.33 108.862 -177.205 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.408 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 26.3 mmt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.194 -0.298 . . . . 72.33 110.194 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 73.49 121.3 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.899 0.75 . . . . 63.04 111.249 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -92.04 32.76 1.11 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.757 -0.656 . . . . 73.32 109.649 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -54.94 144.64 22.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.394 -0.821 . . . . 74.33 110.72 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -147.1 143.7 28.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.459 -0.337 . . . . 72.12 110.974 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -140.93 159.54 42.0 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.942 -0.572 . . . . 74.41 109.907 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -172.06 162.47 5.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.781 0.324 . . . . 74.24 110.21 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.4 p-80 -167.96 157.27 9.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 71.51 109.705 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 ttp -140.84 96.82 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.635 -0.505 . . . . 63.23 109.635 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.14 99.91 0.36 Allowed Glycine 0 C--N 1.329 0.174 0 CA-C-N 116.082 -0.508 . . . . 74.43 111.872 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.18 159.02 32.54 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.547 0.339 . . . . 73.24 110.851 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 tp -176.31 145.93 0.62 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.593 -0.731 . . . . 73.43 110.693 -177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -152.51 117.5 5.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.472 -0.936 . . . . 62.32 108.472 175.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.34 -172.87 3.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.659 0.266 . . . . 75.13 111.459 -169.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -108.15 162.15 14.32 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.326 -0.397 . . . . 73.33 111.246 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.5 m -141.19 92.81 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.345 -0.613 . . . . 72.31 109.345 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -104.77 143.07 33.61 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.943 -0.571 . . . . 71.34 110.361 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.25 128.34 2.53 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.26 -0.495 . . . . 71.43 111.901 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -91.31 -155.53 0.05 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.032 2.488 . . . . 74.15 111.161 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.48 -156.87 28.67 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.927 -0.654 . . . . 74.25 112.397 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -142.73 107.19 4.79 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.025 -0.361 . . . . 73.15 110.025 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 95.9 mmm -101.96 87.87 3.21 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.806 -0.442 . . . . 73.31 109.806 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -89.73 81.5 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.223 0.535 . . . . 74.11 109.998 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.67 178.9 53.21 Favored Glycine 0 C--O 1.236 0.273 0 CA-C-N 115.607 -0.724 . . . . 71.41 112.732 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -92.92 150.53 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 122.433 0.293 . . . . 60.0 110.229 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 80.9 mtp -104.78 117.7 58.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.499 -0.319 . . . . 62.34 110.918 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -82.3 165.49 16.61 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.817 2.345 . . . . 74.34 111.721 174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 p -69.76 149.1 48.33 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.247 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -87.85 127.79 35.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.313 -0.403 . . . . 73.11 110.54 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.2 m -84.17 90.01 7.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 75.4 110.772 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -100.86 106.91 18.32 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.471 -0.566 . . . . 62.5 109.471 176.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.33 -31.75 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.066 0.46 . . . . 74.21 110.985 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.99 135.17 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 64.33 110.702 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.8 m -95.39 142.38 27.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.545 -0.539 . . . . 71.11 109.545 175.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' HG2' ' A' ' 79' ' ' GLN . 62.3 m -148.98 132.27 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.657 0.265 . . . . 74.11 110.868 -177.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -146.28 142.63 28.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.294 -0.632 . . . . 70.33 109.294 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 34.9 m -85.39 137.71 32.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.451 -0.341 . . . . 71.23 110.179 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.83 139.64 47.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.289 -0.414 . . . . 74.21 110.144 -178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -147.26 123.3 10.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.823 -0.436 . . . . 74.33 109.823 175.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' HB ' HD11 ' A' ' 92' ' ' LEU . 13.5 p -136.46 150.64 27.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.562 -0.29 . . . . 72.44 110.884 -174.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 p -98.8 117.37 33.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.613 0.244 . . . . 74.2 111.2 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.3 162.72 32.34 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 111.021 -0.832 . . . . 41.4 111.021 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -143.24 -78.89 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.754 0.777 . . . . 54.14 111.946 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.5 t -100.51 149.18 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 73.31 109.952 -176.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.664 ' HB3' ' HA ' ' A' ' 99' ' ' SER . 7.5 tp-100 64.57 73.08 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.862 0.726 . . . . 75.34 109.677 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.86 -135.58 37.94 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.525 -0.761 . . . . 52.52 111.693 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.3 m -140.43 -35.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 73.2 110.126 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.535 ' HB2' HG21 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -169.04 125.04 0.91 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.855 -0.611 . . . . 63.04 109.465 -179.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 32.5 m-85 -83.83 109.41 17.53 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.18 0.514 . . . . 70.11 111.633 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -52.91 -27.02 16.8 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 115.043 -0.98 . . . . 70.43 110.847 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.43 -63.01 1.42 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.433 -0.348 . . . . 63.52 110.962 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' HD2' ' HB2' ' A' ' 49' ' ' PHE . 78.8 m-85 -63.66 -36.95 85.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.3 -0.409 . . . . 73.2 110.101 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 m -61.23 -41.77 97.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.22 177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.62 -45.99 87.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.411 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.7 -51.16 69.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.275 -0.42 . . . . 65.33 111.097 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -59.87 -54.76 42.41 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.285 0.564 . . . . 63.1 110.244 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -61.39 -39.5 90.9 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.63 -0.714 . . . . 74.43 111.735 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.5 -43.98 53.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 61.14 110.684 -176.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.01 85.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 73.43 111.142 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.72 -12.54 31.13 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.9 0.381 . . . . 74.52 110.982 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 m 65.83 61.57 0.65 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.236 -0.438 . . . . 74.53 111.434 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.35 140.9 30.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.322 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.2 m -112.41 151.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.93 -0.767 . . . . 63.31 108.93 173.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.47 -138.94 6.82 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.991 -0.843 . . . . 63.55 110.991 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 148.02 5.67 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 117.429 0.615 . . . . 74.34 111.423 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -139.04 144.9 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.501 -0.318 . . . . 72.34 110.724 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -153.71 161.86 41.75 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.091 0.956 . . . . 62.0 109.229 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.669 ' HB2' HG23 ' A' ' 119' ' ' ILE . 29.1 t-20 -102.4 153.85 19.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.849 -0.426 . . . . 73.4 109.849 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -118.53 158.69 24.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.771 -0.455 . . . . 74.0 109.771 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.24 -24.87 60.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.951 0.405 . . . . 73.5 111.257 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -68.02 -7.53 29.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.191 -0.459 . . . . 73.01 111.468 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.11 3.29 76.29 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.424 -0.671 . . . . 64.4 111.424 -175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -91.79 129.12 37.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.596 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 48' ' ' PHE . 35.9 t -92.69 114.88 30.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.687 -0.857 . . . . 61.55 108.687 173.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 m -122.02 157.33 31.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.549 -0.296 . . . . 50.11 110.653 -174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.95 -161.72 33.0 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.265 -0.493 . . . . 53.55 112.477 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.551 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 62.1 t -139.98 135.42 37.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 122.867 0.467 . . . . 74.14 110.392 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.11 134.46 53.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 123.717 0.636 . . . . 63.53 109.685 173.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.564 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.3 mt-30 -136.29 153.53 51.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.229 -0.442 . . . . 75.34 109.992 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.91 -159.12 25.42 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.842 -0.503 . . . . 73.2 111.842 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 134.6 33.84 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.246 1.964 . . . . 73.32 110.758 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -56.74 -20.7 23.43 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.154 0.427 . . . . 71.14 112.154 -173.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 32.7 mt-10 -67.28 -51.72 49.38 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.78 0.8 . . . . 53.44 109.899 176.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.89 -29.68 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.293 -0.867 . . . . 73.41 110.445 -177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.88 -41.44 90.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.039 -0.726 . . . . 73.43 109.039 170.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.494 ' HA ' HG12 ' A' ' 89' ' ' VAL . 19.6 t70 -64.38 -35.36 80.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.973 -0.558 . . . . 72.04 110.604 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' A' ' 90' ' ' LYS . . . -63.72 -41.47 98.06 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.099 0.476 . . . . 62.15 110.827 175.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.437 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 8.8 t80 -68.13 -42.5 80.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 72.11 110.428 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 86' ' ' ASP . 9.7 p -64.27 -34.59 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 110.013 -0.365 . . . . 71.34 110.013 176.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' A' ' 87' ' ' ALA . 13.8 ttpp -53.35 -53.34 52.57 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.105 -0.702 . . . . 73.32 109.105 170.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLY . 40.0 t80 -59.47 -39.87 85.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.519 -0.764 . . . . 71.31 110.81 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -65.19 -41.25 94.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.68 0.276 . . . . 60.14 110.393 -176.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -61.93 -31.3 71.61 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.013 0.435 . . . . 73.34 110.539 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.05 -23.27 26.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.704 . . . . 75.41 110.269 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 91' ' ' TYR . . . 56.57 -159.7 8.56 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 111.038 -0.825 . . . . 31.54 111.038 -171.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.3 m -74.91 118.05 67.41 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 107.857 -1.164 . . . . 75.45 107.857 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.13 9.69 0.11 Allowed 'Trans proline' 0 N--CA 1.483 0.881 0 C-N-CA 123.204 2.603 . . . . 63.34 114.44 -168.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -118.95 -22.69 7.18 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.062 0.458 . . . . 75.23 109.988 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 22.7 t -92.02 -179.1 5.19 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.928 -0.578 . . . . 65.2 110.48 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.87 105.07 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 110.143 -0.317 . . . . 74.34 110.143 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.5 m -93.38 119.68 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.393 -0.595 . . . . 73.33 109.393 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -87.97 -41.42 13.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.482 -0.326 . . . . 64.2 111.874 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.428 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . 6.9 ttpm? -147.99 135.43 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.602 0.239 . . . . 72.44 111.267 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.5 p -111.86 142.4 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.451 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.0 m -138.18 139.15 39.21 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.46 -0.57 . . . . 74.04 109.46 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.1 mm -126.48 148.67 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.074 -0.343 . . . . 72.12 110.074 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 10.1 t-80 -128.36 143.12 50.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.846 0.355 . . . . 63.51 110.619 -176.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.58 6.28 3.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -170.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.612 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 67.8 m -59.84 138.86 57.69 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.422 0.629 . . . . 75.32 112.367 -167.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.3 m -71.37 178.38 3.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.647 -1.16 . . . . 61.2 112.548 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -59.23 136.3 57.91 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.159 -0.928 . . . . 70.34 112.24 -174.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' H ' ' NE2' ' A' ' 79' ' ' GLN . 27.7 m -131.84 175.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-N 115.58 -0.736 . . . . 51.15 110.015 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -81.19 126.84 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.995 -0.372 . . . . 74.32 109.995 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.97 147.93 50.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.228 -0.442 . . . . 61.52 111.724 -177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 8.7 t70 -121.31 -43.34 2.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.937 -0.574 . . . . 74.33 110.703 -177.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 139.49 141.43 4.08 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 121.261 -0.495 . . . . 52.42 112.657 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.08 111.93 23.62 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.452 -0.573 . . . . 64.33 109.452 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.7 pt-20 -162.72 127.33 3.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 71.34 110.474 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.8 mp -66.76 86.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.618 0.723 . . . . 71.13 110.022 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.569 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.9 mtt180 -81.38 144.33 31.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.737 -1.12 . . . . 61.44 110.8 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.71 -0.662 . . . . 75.33 109.337 178.627 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.146 -0.316 . . . . 72.33 110.146 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.67 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 63.04 110.224 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -157.35 102.04 1.9 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.81 0.338 . . . . 73.32 110.394 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -146.86 151.71 37.53 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.094 0.557 . . . . 74.33 110.142 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -139.67 94.45 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 72.12 110.37 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -100.0 124.11 44.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.681 -0.489 . . . . 74.41 109.681 175.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -122.11 127.21 49.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.096 -0.335 . . . . 74.24 110.096 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -164.78 141.84 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.207 -0.664 . . . . 71.51 109.207 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.9 ptp -74.51 156.46 36.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 63.23 110.744 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.85 35.99 2.63 Favored Glycine 0 N--CA 1.453 -0.181 0 N-CA-C 111.107 -0.797 . . . . 74.43 111.107 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -66.84 156.46 35.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.33 -0.435 . . . . 73.24 111.229 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -150.25 105.27 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.678 -0.86 . . . . 73.43 108.678 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.51 145.57 30.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.383 -0.372 . . . . 62.32 110.172 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.36 108.41 16.03 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.304 -0.407 . . . . 75.13 110.622 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -113.14 126.76 55.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 73.33 110.191 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -138.78 159.24 42.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.494 -0.321 . . . . 72.31 110.304 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -167.17 138.9 3.25 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 71.34 109.611 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.77 155.0 49.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.002 -0.618 . . . . 71.43 111.912 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.7 43.57 1.53 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.078 2.519 . . . . 74.15 111.605 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.34 -68.28 3.17 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.111 -0.796 . . . . 74.25 111.111 -174.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.2 m -152.59 142.24 21.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 73.15 109.791 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' A' ' 22' ' ' MET . 4.1 ppp? -70.81 153.25 42.91 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.472 -0.566 . . . . 73.31 109.472 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -131.0 132.9 45.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.909 0.385 . . . . 74.11 110.88 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.24 57.09 5.08 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.607 -0.597 . . . . 71.41 111.607 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 p -89.08 149.26 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.645 0.26 . . . . 60.0 110.473 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.6 ptp -99.15 117.53 63.99 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.41 -0.359 . . . . 62.34 110.315 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.19 179.25 6.61 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.645 2.23 . . . . 74.34 112.182 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 p -140.38 93.99 2.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.017 0.436 . . . . 70.24 110.14 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -159.81 137.82 10.14 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.246 -0.649 . . . . 73.11 109.246 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 t -107.77 142.6 37.53 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.108 -0.331 . . . . 75.4 110.108 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -79.22 -170.09 2.12 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.257 -0.429 . . . . 62.5 111.017 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.03 -31.18 68.69 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.469 -0.332 . . . . 74.21 111.051 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 p -137.81 138.58 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.136 -0.484 . . . . 64.33 110.225 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.4 m -94.58 146.27 24.24 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.782 -0.451 . . . . 71.11 109.782 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 79' ' ' GLN . 76.2 m -147.29 134.74 20.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.275 -0.268 . . . . 74.11 110.275 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.46 142.9 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.348 -0.612 . . . . 70.33 109.348 172.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' HIS . 63.6 m -89.07 143.1 27.09 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.93 -0.396 . . . . 71.23 109.93 177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CE1' ' HB ' ' A' ' 78' ' ' VAL . 1.3 m-85 -111.73 139.24 47.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.769 -0.456 . . . . 74.21 109.769 -178.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -146.82 111.27 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.819 -0.808 . . . . 74.33 108.819 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.11 145.62 32.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.481 0.658 . . . . 72.44 111.001 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.438 HG22 ' HB3' ' A' ' 73' ' ' SER . 36.8 p -118.66 132.81 56.17 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.067 -1.086 . . . . 74.2 108.067 174.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . -166.14 160.34 33.83 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 119.962 -1.113 . . . . 41.4 113.293 -176.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -71.2 88.55 0.83 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.201 -0.666 . . . . 54.14 109.201 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HA ' ' HB3' ' A' ' 99' ' ' SER . 10.2 p -81.75 140.42 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.617 -0.719 . . . . 73.31 111.028 -175.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -113.29 96.2 5.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.048 -0.723 . . . . 75.34 109.048 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.19 -88.64 1.28 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.345 -0.702 . . . . 52.52 111.345 -174.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.44 162.08 39.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 110.27 -0.27 . . . . 73.2 110.27 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -70.56 78.98 0.58 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.93 -0.396 . . . . 63.04 109.93 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' HE2' ' HB2' ' A' ' 99' ' ' SER . 3.7 p90 4.07 76.96 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.204 1.402 . . . . 70.11 114.372 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.526 ' HB2' HD13 ' A' ' 119' ' ' ILE . 64.9 ttt180 -65.55 -19.49 65.94 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.99 -0.55 . . . . 70.43 109.902 179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.87 -59.38 5.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.902 -0.59 . . . . 63.52 110.013 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -72.7 -38.07 67.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.67 -0.695 . . . . 73.2 110.887 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.2 m -58.12 -46.73 85.08 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.016 0.436 . . . . 73.23 110.583 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -65.06 -47.14 78.36 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.906 -0.588 . . . . 52.34 110.14 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -52.47 -51.53 58.88 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.304 0.377 . . . . 65.33 110.49 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.38 -57.41 12.89 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.657 -0.702 . . . . 63.1 110.782 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -44.75 96.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.685 -0.689 . . . . 74.43 111.562 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.96 -36.19 81.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.074 -0.512 . . . . 61.14 111.018 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.96 45.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.482 -0.326 . . . . 73.43 111.321 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.507 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 78.0 mt -89.27 -8.04 54.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.939 0.348 . . . . 74.52 111.939 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m 67.79 58.81 0.48 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.096 0.558 . . . . 74.53 111.558 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.3 mm? -92.16 133.93 35.33 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.903 -0.589 . . . . 73.12 109.501 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' A' ' 79' ' ' GLN . 35.3 m -110.72 152.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.112 -0.329 . . . . 63.31 110.112 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.7 -134.77 4.88 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.238 -0.745 . . . . 63.55 111.238 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.08 149.56 6.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.168 0.484 . . . . 74.34 110.822 177.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.75 141.96 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 123.179 0.299 . . . . 72.34 110.344 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.694 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 8.8 t -152.25 162.09 41.65 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.849 0.718 . . . . 62.0 109.932 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.549 ' HB2' HG23 ' A' ' 119' ' ' ILE . 6.4 t30 -110.41 142.33 42.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 73.4 110.26 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -102.26 149.2 24.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 74.0 110.067 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -58.9 -24.21 62.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.216 0.531 . . . . 73.5 110.744 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.67 -4.11 14.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.348 -0.842 . . . . 73.01 111.748 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.86 45.59 7.12 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.072 -0.585 . . . . 64.4 112.017 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.438 ' HB3' HG22 ' A' ' 41' ' ' THR . 31.8 p -152.55 142.26 21.91 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 110.131 -0.322 . . . . 74.3 110.131 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.34 133.02 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.969 -0.382 . . . . 61.55 109.969 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -135.36 160.39 38.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.012 0.434 . . . . 50.11 110.683 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.75 -165.78 38.26 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.205 -0.758 . . . . 53.55 111.205 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.54 HG22 ' SG ' ' A' ' 37' ' ' CYS . 34.8 t -140.69 138.53 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 117.057 0.428 . . . . 74.14 110.19 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.429 ' HB ' ' CE1' ' A' ' 38' ' ' TYR . 73.6 t -116.71 140.58 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.584 -0.525 . . . . 63.53 109.584 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.562 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -144.2 157.85 44.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.841 -0.618 . . . . 75.34 109.964 177.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.07 -152.36 22.24 Favored Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.016 -0.833 . . . . 73.2 111.016 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 31.1 Cg_endo -65.71 127.37 17.77 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 122.465 2.11 . . . . 73.32 111.502 176.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.56 -30.77 5.64 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.98 0.733 . . . . 71.14 112.98 -176.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 8.1 pt-20 -70.25 -45.9 65.52 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.616 0.246 . . . . 53.44 111.355 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.557 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.0 mp0 -69.09 -39.8 78.8 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.401 0.143 . . . . 73.41 110.83 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 89' ' ' VAL . 62.4 t -58.54 -45.48 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.322 -0.622 . . . . 73.43 109.322 175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.38 -39.96 89.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 72.04 110.318 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.629 -0.714 . . . . 62.15 110.752 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.51 -35.81 79.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.801 -0.636 . . . . 72.11 109.83 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 85' ' ' VAL . 92.7 t -60.45 -47.32 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 116.093 -0.503 . . . . 71.34 109.961 173.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -47.03 76.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.827 -0.624 . . . . 73.32 109.724 178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -60.35 -43.53 96.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.146 -0.934 . . . . 71.31 110.853 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -36.05 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 60.14 110.387 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -64.15 -35.06 79.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.225 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -85.98 -37.28 19.17 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.098 -0.501 . . . . 75.41 110.983 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.74 -128.44 26.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.301 -0.72 . . . . 31.54 111.301 -172.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.3 m -155.63 154.34 27.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.511 -0.552 . . . . 75.45 109.511 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -59.55 -11.85 15.43 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.034 2.489 . . . . 63.34 113.037 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -75.94 -26.16 56.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.625 -0.261 . . . . 75.23 111.105 -178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 50.0 m -150.37 137.03 19.04 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.833 0.349 . . . . 65.2 110.65 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.4 t -92.49 99.78 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 74.34 111.22 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.491 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 29.8 m -67.27 140.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 73.33 110.247 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -101.77 -57.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.385 . . . . 64.2 111.302 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -143.41 131.25 21.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.29 -0.413 . . . . 72.44 110.489 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.17 142.39 24.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.351 -0.386 . . . . 63.52 110.282 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.3 m -138.02 130.84 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.311 -0.626 . . . . 74.04 109.311 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.4 mm -116.78 157.18 17.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 109.986 -0.375 . . . . 72.12 109.986 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 85.5 t60 -133.2 144.51 49.87 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 121.226 0.536 . . . . 63.51 111.057 -177.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 7.62 0.94 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 116.082 1.882 . . . . 71.54 116.082 -169.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 107' ' ' HIS . 66.1 p -58.12 141.5 50.08 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.9 0.773 . . . . 75.32 113.031 -158.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.3 m -70.99 178.36 3.24 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.2 -0.909 . . . . 61.2 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -50.93 131.09 26.49 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.953 -0.567 . . . . 70.34 112.523 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.0 m -121.05 176.16 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.494 -0.776 . . . . 51.15 109.621 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -98.16 116.06 29.6 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.961 -0.385 . . . . 74.32 109.961 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.98 145.15 42.76 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.15 -0.477 . . . . 61.52 111.602 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.17 -47.71 1.75 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.073 -0.512 . . . . 74.33 110.96 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.96 148.65 4.84 Favored Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.663 -0.78 . . . . 52.42 113.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -95.42 112.13 23.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.239 -0.652 . . . . 64.33 109.239 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.8 pt-20 -162.67 126.2 2.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.929 0.395 . . . . 71.34 110.369 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.549 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.5 mp -70.4 86.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.776 0.798 . . . . 71.13 109.476 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.694 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.0 mtt180 -77.44 144.53 37.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.47 -1.241 . . . . 61.44 110.522 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.367 -0.825 . . . . 75.33 110.422 -177.423 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.803 0.335 . . . . 72.33 110.227 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.28 27.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.179 -0.464 . . . . 63.04 110.044 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -157.42 137.74 12.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 73.32 110.823 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -87.32 176.83 7.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.135 -0.691 . . . . 74.33 109.135 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -150.65 138.98 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.839 0.352 . . . . 72.12 110.775 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -95.81 173.07 7.64 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.047 -0.723 . . . . 74.41 109.047 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -150.42 116.1 5.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.045 0.45 . . . . 74.24 110.597 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -96.82 127.52 42.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 71.51 110.096 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' A' ' 9' ' ' MET . 1.5 pmm? -108.14 126.91 53.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.443 -0.577 . . . . 63.23 109.443 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.1 102.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.336 -0.935 . . . . 74.43 112.921 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 11.3 p -136.65 110.01 7.89 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.846 -0.427 . . . . 73.24 109.846 171.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER 169.06 87.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.209 -1.034 . . . . 73.43 108.209 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.54 -176.7 4.05 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.977 0.417 . . . . 62.32 111.135 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.59 151.02 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 75.13 111.992 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -113.21 133.96 54.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.641 -0.874 . . . . 73.33 108.641 175.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.2 m -130.69 132.45 45.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.937 0.399 . . . . 72.31 111.603 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -146.59 128.91 15.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.664 -0.698 . . . . 71.34 109.262 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.49 169.23 54.25 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.117 -0.563 . . . . 71.43 112.288 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.79 2.98 5.34 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.995 2.463 . . . . 74.15 112.534 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.47 168.18 27.71 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.118 -0.492 . . . . 74.25 112.511 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -110.38 -174.26 2.44 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.601 0.36 . . . . 73.15 110.403 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.9 ttt -130.72 133.16 45.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.59 -0.277 . . . . 73.31 110.344 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.23 152.54 44.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 74.11 110.366 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.78 105.44 0.18 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.831 -0.7 . . . . 71.41 112.428 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -130.69 161.95 30.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.558 -0.534 . . . . 60.0 109.558 177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 67.5 mtt -145.12 119.52 5.64 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.812 -0.177 . . . . 62.34 110.665 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -87.77 109.07 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.153 2.569 . . . . 74.34 111.272 174.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 p -102.61 -179.41 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.33 -0.395 . . . . 70.24 110.7 -177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.0 m -69.75 137.26 51.81 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.341 -0.39 . . . . 73.11 110.428 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.573 ' H ' ' HG2' ' A' ' 82' ' ' LYS . 24.8 m -97.72 -151.05 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 75.4 109.49 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.55 178.72 1.93 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 121.037 -0.265 . . . . 62.5 110.433 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.71 -31.75 69.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 74.21 110.876 -174.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG21 ' NH2' ' A' ' 111' ' ' ARG . 39.8 t -131.17 97.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.422 0.63 . . . . 64.33 110.188 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' A' ' 82' ' ' LYS . 34.5 m -84.34 127.0 33.72 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.746 -1.116 . . . . 71.11 109.601 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.2 m -121.65 129.51 52.84 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.145 -0.317 . . . . 74.11 110.145 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.19 139.05 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.535 . . . . 70.33 109.674 178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 51.1 t -90.91 135.42 33.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.051 -0.722 . . . . 71.23 109.051 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -111.94 146.43 37.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.725 0.298 . . . . 74.21 110.995 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -156.35 116.9 3.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 74.33 109.79 171.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' HB ' HD11 ' A' ' 92' ' ' LEU . 12.6 p -123.89 145.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.495 -0.32 . . . . 72.44 110.387 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.618 HG23 ' HB3' ' A' ' 102' ' ' LYS . 7.9 t -116.84 165.24 13.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.475 -0.565 . . . . 74.2 109.475 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.25 166.51 17.94 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.651 -0.785 . . . . 41.4 113.703 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HD2' HG23 ' A' ' 44' ' ' VAL . 1.3 tmtp? -87.87 -50.73 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.588 -0.893 . . . . 54.14 108.588 176.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.553 HG23 ' HD2' ' A' ' 43' ' ' LYS . 54.5 t -122.67 91.07 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.175 -0.676 . . . . 73.31 109.175 174.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 59.14 88.92 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.808 -0.633 . . . . 75.34 110.911 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.97 74.62 0.48 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.968 -0.56 . . . . 52.52 112.162 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.41 135.49 61.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.809 0.337 . . . . 73.2 110.167 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 119' ' ' ILE . 6.3 m-30 -87.14 159.98 18.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 63.04 110.44 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 23.6 t80 -73.57 115.72 13.31 Favored 'General case' 0 C--O 1.254 1.311 0 CA-C-O 121.134 0.492 . . . . 70.11 110.445 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.8 tpt180 -65.97 75.25 0.08 Allowed 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.495 -1.23 . . . . 70.43 110.991 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 63.0 tttm 160.11 -50.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 124.763 1.225 . . . . 63.52 107.98 178.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.704 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 11.2 m-30 -62.04 -38.06 87.29 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.998 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 48' ' ' PHE . 36.6 m -59.91 -53.52 56.89 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.608 -0.437 . . . . 73.23 111.048 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -60.75 -49.61 76.81 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.955 -0.566 . . . . 52.34 109.76 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -57.74 -43.51 85.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.048 -0.524 . . . . 65.33 110.407 -177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -59.59 -55.27 36.63 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.128 0.489 . . . . 63.1 110.067 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -55.75 -47.65 76.61 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.263 -0.88 . . . . 74.43 110.684 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.48 -43.07 99.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 61.14 110.856 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.64 75.2 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.813 -0.631 . . . . 73.43 111.502 -176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 84' ' ' GLN . 4.2 mm? -85.76 -7.23 58.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.508 -0.315 . . . . 74.52 110.726 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 68.03 47.05 1.1 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.362 0.601 . . . . 74.53 111.704 174.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 57' ' ' ALA . 1.8 mm? -84.55 133.72 34.43 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.764 -0.653 . . . . 73.12 109.431 173.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 18.5 m -104.07 153.5 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.677 . . . . 63.31 109.171 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.24 -132.19 5.05 Favored Glycine 0 CA--C 1.511 -0.167 0 N-CA-C 111.342 -0.703 . . . . 63.55 111.342 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -167.12 150.46 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.132 0.466 . . . . 74.34 111.112 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.7 t -138.97 141.9 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 116.564 -0.289 . . . . 72.34 110.87 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.581 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -152.39 161.91 41.93 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.106 0.879 . . . . 62.0 110.356 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' A' ' 121' ' ' ARG . 3.9 t-20 -96.54 155.57 16.71 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.088 -0.338 . . . . 73.4 110.088 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 0.8 OUTLIER -114.94 163.22 15.88 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.553 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.51 -47.15 63.4 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.873 0.733 . . . . 73.5 112.114 -175.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.01 -17.56 64.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.134 -0.485 . . . . 73.01 111.505 -175.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.94 47.87 2.18 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 109.891 -1.283 . . . . 64.4 109.891 -169.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' A' ' 69' ' ' ASN . 46.7 t -123.41 126.54 46.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.062 -0.569 . . . . 74.3 109.7 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -92.75 114.89 30.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.472 -0.566 . . . . 61.55 109.472 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.6 p -121.94 166.86 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.294 -0.412 . . . . 50.11 110.502 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.02 -162.31 35.84 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.141 -0.552 . . . . 53.55 111.978 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.0 t -138.18 136.71 44.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 109.735 -0.469 . . . . 74.14 109.735 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.53 HG13 ' HB3' ' A' ' 62' ' ' LEU . 58.1 t -120.89 133.41 67.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 O-C-N 123.621 0.575 . . . . 63.53 109.462 176.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -134.37 137.56 44.2 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.585 -0.524 . . . . 75.34 109.585 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 151.95 -163.74 30.2 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.588 -0.605 . . . . 73.2 111.588 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 29.2 Cg_endo -62.41 130.75 31.22 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.148 1.899 . . . . 73.32 110.879 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG2' ' H ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -58.65 -19.85 42.78 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 117.032 -0.076 . . . . 71.14 111.174 -172.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.58 -52.25 64.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.328 0.585 . . . . 53.44 110.177 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.442 ' HG3' HD12 ' A' ' 60' ' ' LEU . 2.5 mp0 -74.87 -32.17 61.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.479 -0.782 . . . . 73.41 110.519 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 89' ' ' VAL . 94.3 t -61.65 -44.65 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.168 -0.679 . . . . 73.43 109.168 172.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 25.5 t0 -66.75 -31.1 71.53 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.912 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 84' ' ' GLN . . . -59.98 -45.68 91.9 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.47 0.652 . . . . 62.15 110.044 172.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.95 -34.49 78.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.428 -0.805 . . . . 72.11 109.438 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 85' ' ' VAL . 72.3 t -61.65 -40.75 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.113 -0.494 . . . . 71.34 110.586 174.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 55.2 mmtt -60.6 -49.54 77.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.966 -0.753 . . . . 73.32 108.966 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -58.6 -34.84 71.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.21 -0.904 . . . . 71.31 110.614 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.497 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -71.17 -40.93 70.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.293 -0.412 . . . . 60.14 110.139 -177.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -67.61 -30.26 69.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.121 -0.49 . . . . 73.34 110.796 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -85.58 -29.03 24.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 75.41 110.136 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.64 -152.35 31.11 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.556 -0.747 . . . . 31.54 111.938 -175.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.9 m -93.21 120.7 66.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.804 -0.813 . . . . 75.45 108.804 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -58.3 -14.56 20.44 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.998 2.465 . . . . 63.34 113.373 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -75.13 -26.35 59.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.893 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.3 m -111.5 172.3 6.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 65.2 110.817 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.07 112.78 41.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.433 -0.58 . . . . 74.34 109.433 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.9 m -74.47 138.71 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 73.33 110.75 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.618 ' HB3' HG23 ' A' ' 41' ' ' THR . 54.3 tptt -89.43 -57.7 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.088 -0.505 . . . . 64.2 110.356 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -155.49 141.35 18.13 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.585 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.84 142.29 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 63.52 109.918 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -137.76 126.06 23.21 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.725 -0.472 . . . . 74.04 109.725 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.7 mm -116.51 154.06 18.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.655 -0.498 . . . . 72.12 109.655 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 16.1 t60 -133.81 147.22 51.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 63.51 110.682 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.13 6.47 0.94 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.548 1.314 . . . . 71.54 114.548 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.4 m -59.99 129.93 44.23 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.36 0.6 . . . . 75.32 111.686 -167.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.4 m -78.06 178.4 7.55 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.116 -0.947 . . . . 61.2 111.836 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.425 ' NH2' HG21 ' A' ' 33' ' ' VAL . 25.6 ttm180 -42.62 129.13 4.12 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.015 0.822 . . . . 70.34 112.46 -176.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.21 175.99 8.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 115.189 -0.914 . . . . 51.15 109.79 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.31 121.01 22.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.441 -0.345 . . . . 74.32 110.465 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.21 154.49 40.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.134 -0.484 . . . . 61.52 111.475 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.75 -48.19 0.81 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.454 -0.339 . . . . 74.33 111.018 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 147.98 146.65 4.38 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.909 -0.662 . . . . 52.42 112.919 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -94.73 112.26 24.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.836 -0.431 . . . . 64.33 109.836 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.535 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.0 pt-20 -162.61 131.56 4.17 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.047 0.451 . . . . 71.34 110.208 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 21.9 mm -68.03 86.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.382 0.61 . . . . 71.13 109.971 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.581 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 57.8 mtt180 -81.54 138.21 35.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.979 -1.009 . . . . 61.44 110.435 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.522 ' HG2' ' HB3' ' A' ' 68' ' ' ASN . 34.8 mtp-105 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.44 -0.79 . . . . 75.33 109.478 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.678 0.275 . . . . 72.33 110.287 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.09 96.15 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 63.04 110.362 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -110.21 29.74 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.232 -0.655 . . . . 73.32 109.232 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -131.67 101.24 5.4 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.507 -0.77 . . . . 74.33 110.487 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -77.57 148.38 35.21 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.618 -0.512 . . . . 72.12 109.618 175.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -160.44 136.88 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.205 -0.294 . . . . 74.41 110.205 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -141.04 93.0 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 74.24 111.532 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -103.47 154.83 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.408 -0.96 . . . . 71.51 108.408 168.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 62.7 mtt -68.95 -73.21 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.651 0.262 . . . . 63.23 111.632 -173.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.17 -126.62 6.02 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.944 -0.646 . . . . 74.43 112.326 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -99.89 115.34 29.39 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.141 0.496 . . . . 73.24 111.89 -175.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.5 mp -117.67 -13.09 10.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.475 -0.784 . . . . 73.43 109.318 174.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -165.5 149.81 8.53 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.186 -1.042 . . . . 62.32 108.186 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.07 138.9 28.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.819 0.343 . . . . 75.13 110.893 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.88 143.68 47.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.746 -0.835 . . . . 73.33 108.746 175.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 m -114.87 110.53 19.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 72.31 111.709 -174.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.63 177.78 9.2 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.727 -0.67 . . . . 71.34 109.436 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.93 -176.49 25.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.819 -0.705 . . . . 71.43 112.119 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -98.04 -161.53 0.06 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 123.564 2.842 . . . . 74.15 112.3 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -168.53 28.41 0.15 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.688 -0.687 . . . . 74.25 111.935 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 p -140.79 88.55 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.808 0.337 . . . . 73.15 110.496 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 63.7 mtt -141.54 99.46 3.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.149 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -167.58 145.12 4.51 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.362 -0.381 . . . . 74.11 110.428 176.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.06 100.95 0.2 Allowed Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.378 -0.689 . . . . 71.41 111.378 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -59.93 104.72 0.32 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.231 0.539 . . . . 60.0 110.977 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 89.6 mtp -141.0 154.96 68.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.465 -0.789 . . . . 62.34 109.83 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.11 154.51 27.78 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.539 2.159 . . . . 74.34 112.403 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.6 t -67.23 115.59 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.604 -0.517 . . . . 70.24 109.604 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 p -73.66 -174.16 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 73.11 111.284 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -92.72 2.26 56.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.37 -0.377 . . . . 75.4 111.471 -178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.63 99.58 0.61 Allowed 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.867 -0.42 . . . . 62.5 109.867 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -82.64 -31.46 28.74 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.122 -0.49 . . . . 74.21 109.896 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.31 106.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 64.33 109.714 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.456 ' HB ' HG21 ' A' ' 85' ' ' VAL . 35.5 m -83.45 125.47 31.74 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.549 -0.75 . . . . 71.11 110.456 -177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.6 m -119.07 128.8 54.67 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.628 -0.508 . . . . 74.11 109.628 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -143.77 134.94 25.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.937 -0.574 . . . . 70.33 109.52 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 58.0 m -89.65 134.63 34.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.706 -0.479 . . . . 71.23 109.706 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.9 m-85 -111.66 140.55 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.963 0.411 . . . . 74.21 111.613 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 76.9 ttt180 -149.22 120.31 7.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.674 -0.693 . . . . 74.33 109.674 166.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HB ' HD11 ' A' ' 92' ' ' LEU . 10.3 p -121.55 143.85 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.399 -0.593 . . . . 72.44 109.399 176.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.406 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 30.0 p -104.48 150.47 24.55 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.039 -0.528 . . . . 74.2 109.703 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.93 141.16 15.41 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.711 -0.757 . . . . 41.4 111.729 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.48 -43.08 70.51 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.741 -0.466 . . . . 54.14 109.741 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 m -122.91 83.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 73.31 110.151 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 60.02 98.53 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.804 -0.635 . . . . 75.34 111.074 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.44 95.84 0.32 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.688 -0.687 . . . . 52.52 113.208 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.2 m -125.38 123.18 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.594 -0.521 . . . . 73.2 109.594 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' HB3' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -88.87 146.92 24.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.9 -0.407 . . . . 63.04 109.9 -178.644 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.14 116.45 29.36 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.312 0.577 . . . . 70.11 111.654 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 2.9 tpp180 -48.05 -43.74 30.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.739 -1.119 . . . . 70.43 111.594 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -50.53 -60.85 2.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.07 -0.514 . . . . 63.52 111.42 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -69.4 -35.26 75.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.618 . . . . 73.2 111.074 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -58.44 -53.79 54.38 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 120.947 0.403 . . . . 73.23 110.524 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -69.93 -35.28 74.43 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.241 -0.436 . . . . 52.34 110.7 -178.257 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 61.9 tttp -58.6 -52.26 66.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.074 0.464 . . . . 65.33 110.048 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -64.68 -55.42 20.17 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.511 -0.768 . . . . 63.1 110.371 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -60.82 -38.53 85.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.486 -0.779 . . . . 74.43 111.779 -175.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.05 -40.42 65.11 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.817 0.342 . . . . 61.14 110.306 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.53 -48.01 82.96 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.956 -0.565 . . . . 73.43 111.472 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 84' ' ' GLN . 3.3 mm? -92.94 -12.34 31.09 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.459 -0.337 . . . . 74.52 111.303 -178.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.6 t 67.25 61.77 0.47 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.289 0.635 . . . . 74.53 111.433 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -93.65 149.28 21.36 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.801 -0.636 . . . . 73.12 109.692 174.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.472 HG23 ' HB2' ' A' ' 79' ' ' GLN . 35.7 m -123.8 164.43 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 63.31 110.013 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.75 -126.45 2.88 Favored Glycine 0 C--O 1.236 0.233 0 N-CA-C 111.268 -0.733 . . . . 63.55 111.268 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.663 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.11 144.24 4.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.076 0.438 . . . . 74.34 111.051 176.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 117' ' ' PHE . 8.6 t -138.76 137.72 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.796 -0.638 . . . . 72.34 110.146 178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.714 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.0 t -141.31 161.71 37.23 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.245 0.966 . . . . 62.0 109.534 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 74' ' ' VAL . 2.7 t30 -117.26 126.94 53.55 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.879 -0.415 . . . . 73.4 109.879 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -87.82 146.71 25.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 74.0 110.888 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.91 -30.9 64.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.04 -0.527 . . . . 73.5 111.093 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.24 -12.98 57.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.962 -0.563 . . . . 73.01 111.01 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.09 50.57 2.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 64.4 111.709 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 t -149.15 131.65 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.774 -0.454 . . . . 74.3 109.774 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 23.6 t -92.67 132.76 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.413 -0.588 . . . . 61.55 109.413 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.7 p -139.52 151.23 45.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.665 0.269 . . . . 50.11 110.936 -176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 65' ' ' TYR . . . 169.89 -160.28 33.22 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.757 -0.537 . . . . 53.55 111.757 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 40.5 t -140.5 143.67 28.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 109.988 -0.375 . . . . 74.14 109.988 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.93 144.19 24.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 N-CA-C 109.724 -0.473 . . . . 63.53 109.724 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB2' HG23 ' A' ' 63' ' ' VAL . 3.2 mt-30 -141.1 130.66 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.271 -0.641 . . . . 75.34 109.271 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.37 -174.08 37.05 Favored Glycine 0 CA--C 1.516 0.142 0 C-N-CA 120.986 -0.626 . . . . 73.2 112.134 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -59.89 139.02 86.09 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.581 2.187 . . . . 73.32 112.005 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -52.7 -33.13 46.21 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.653 0.612 . . . . 71.14 112.653 -173.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.1 pt-20 -70.27 -42.14 72.51 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.888 0.375 . . . . 53.44 110.726 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.522 ' HG3' HD12 ' A' ' 60' ' ' LEU . 1.7 mp0 -71.26 -37.83 71.9 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.298 -0.41 . . . . 73.41 110.365 177.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG21 ' HB ' ' A' ' 34' ' ' THR . 88.8 t -63.05 -36.59 76.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.691 -0.485 . . . . 73.43 109.691 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.486 ' HA ' HG12 ' A' ' 89' ' ' VAL . 26.1 t70 -65.08 -40.97 95.39 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.705 -0.68 . . . . 72.04 109.98 175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.05 81.67 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.065 0.459 . . . . 62.15 110.434 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -66.56 -47.39 72.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.417 -0.81 . . . . 72.11 111.258 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 86' ' ' ASP . 7.4 p -67.18 -36.16 76.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 121.397 0.618 . . . . 71.34 110.594 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -68.88 -34.64 75.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.526 -0.761 . . . . 73.32 109.352 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -67.08 -40.02 86.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.546 -0.752 . . . . 71.31 109.875 170.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.427 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -59.59 -38.73 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 60.14 109.977 -179.056 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -62.64 -23.9 67.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.103 -0.499 . . . . 73.34 111.294 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -85.12 -34.13 22.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.212 0.53 . . . . 75.41 109.593 175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.46 -93.23 0.29 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.283 -0.871 . . . . 31.54 111.858 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.8 m -160.54 133.71 4.72 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.187 -0.672 . . . . 75.45 109.187 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.34 9.32 0.41 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 122.712 2.275 . . . . 63.34 113.103 -177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -107.8 -0.71 21.47 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 122.672 0.389 . . . . 75.23 110.852 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -156.72 -176.0 5.73 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.432 -0.349 . . . . 65.2 110.089 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.55 134.73 58.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.298 -0.41 . . . . 74.34 110.142 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.85 145.99 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 73.33 111.005 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 21.8 ttmm -87.77 -57.46 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.908 -0.587 . . . . 64.2 109.476 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -158.07 134.52 9.56 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.909 -0.587 . . . . 72.44 110.705 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.5 p -97.34 139.48 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.028 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.4 m -137.74 124.68 21.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 74.04 110.38 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.7 mm -117.96 145.56 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.469 -0.332 . . . . 72.12 110.331 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 57.9 m170 -122.2 152.38 40.03 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.912 0.387 . . . . 63.51 110.952 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.48 5.85 11.8 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.787 1.235 . . . . 71.54 113.786 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.704 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.4 m -59.31 131.67 51.71 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.156 0.503 . . . . 75.32 111.667 -167.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.6 p -71.23 178.54 3.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.134 -0.939 . . . . 61.2 112.009 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -47.62 125.34 8.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.809 -0.632 . . . . 70.34 112.683 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.42 176.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.003 -0.999 . . . . 51.15 109.027 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.04 133.23 41.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.976 0.417 . . . . 74.32 110.257 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.39 139.82 54.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.429 -0.805 . . . . 61.52 112.315 -172.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.663 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 14.3 t70 -109.91 -48.72 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.033 -0.729 . . . . 74.33 109.033 176.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 147.68 139.91 3.3 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.537 -0.756 . . . . 52.42 112.478 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CD1' HG23 ' A' ' 66' ' ' VAL . 24.7 m-85 -82.2 112.13 18.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.652 -0.87 . . . . 64.33 108.652 171.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -159.94 121.21 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.094 0.474 . . . . 71.34 110.753 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.411 HG23 ' HB2' ' A' ' 68' ' ' ASN . 22.3 mm -63.35 87.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.441 0.639 . . . . 71.13 109.869 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.714 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 14.0 mtt-85 -65.56 131.09 45.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 61.44 111.421 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 114.935 -1.03 . . . . 75.33 109.645 -175.374 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.95 0.405 . . . . 72.33 109.978 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.28 134.11 30.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.92 -0.582 . . . . 63.04 109.477 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -155.66 115.73 3.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.652 0.263 . . . . 73.32 111.038 -173.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -81.3 156.6 25.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.35 -0.611 . . . . 74.33 109.35 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -151.73 137.76 18.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.378 . . . . 72.12 110.73 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -133.65 164.41 27.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.887 -0.783 . . . . 74.41 108.887 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -74.82 -44.97 46.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.738 0.304 . . . . 74.24 110.919 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -137.16 138.42 40.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.966 0.412 . . . . 71.51 110.821 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.7 ptm -153.19 132.11 12.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.438 -0.579 . . . . 63.23 109.438 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.64 122.5 2.16 Favored Glycine 0 N--CA 1.451 -0.304 0 N-CA-C 111.114 -0.794 . . . . 74.43 111.114 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 p -111.91 175.41 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.697 0.399 . . . . 73.24 110.798 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.4 117.52 34.37 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.637 -0.256 . . . . 73.43 110.543 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -140.14 85.14 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.551 0.691 . . . . 62.32 110.72 173.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.3 93.33 3.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.845 . . . . 75.13 109.097 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -108.29 172.89 6.58 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.892 -0.595 . . . . 73.33 110.75 -175.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -151.72 168.24 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.31 109.883 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 -179.92 8.56 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.399 -0.364 . . . . 71.34 110.441 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.48 171.4 21.95 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.112 -0.494 . . . . 71.43 111.903 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -94.58 -156.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.341 2.694 . . . . 74.15 111.782 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -169.05 155.82 26.56 Favored Glycine 0 CA--C 1.518 0.227 0 N-CA-C 111.882 -0.487 . . . . 74.25 111.882 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -158.26 176.54 12.35 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.26 -0.274 . . . . 73.15 110.26 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 66.3 mtt -137.61 112.97 9.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.419 -0.355 . . . . 73.31 110.267 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -163.99 142.63 7.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.028 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.16 -158.19 21.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.958 -0.639 . . . . 71.41 112.544 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 p -147.55 167.17 25.19 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 120.78 0.324 . . . . 60.0 110.588 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -118.04 144.1 34.08 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-N 116.218 -0.446 . . . . 62.34 110.674 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -92.93 -175.93 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.288 2.659 . . . . 74.34 112.586 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -154.82 -176.97 6.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.14 -0.482 . . . . 70.24 110.208 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.3 t -154.41 172.43 17.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 73.11 109.757 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 p -150.57 22.35 0.81 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.434 0.635 . . . . 75.4 109.974 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.01 50.64 1.24 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.289 -0.868 . . . . 62.5 111.546 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.12 -21.98 63.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.1 0.476 . . . . 74.21 110.605 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t -88.46 105.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 64.33 110.173 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 m -82.05 150.92 27.31 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.535 -0.757 . . . . 71.11 109.656 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.3 m -142.05 128.55 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.674 0.273 . . . . 74.11 110.327 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -139.94 136.93 34.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 70.33 109.417 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.736 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 83.3 m -87.49 135.01 33.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.907 -0.405 . . . . 71.23 109.907 177.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -111.8 143.39 42.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.127 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -154.27 110.99 3.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.12 -0.491 . . . . 74.33 110.079 172.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -111.84 145.63 17.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.464 -0.569 . . . . 72.44 109.464 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 73' ' ' SER . 7.5 p -99.76 134.17 43.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.604 -0.517 . . . . 74.2 109.604 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.22 148.05 17.93 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.004 -0.617 . . . . 41.4 112.654 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -81.03 -35.07 32.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 54.14 110.345 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' GLY . 22.6 t -101.77 77.43 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.127 -0.488 . . . . 73.31 109.987 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 54.73 -82.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.206 -0.906 . . . . 75.34 111.654 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' VAL . . . -173.9 30.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.127 -0.558 . . . . 52.52 112.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.5 p -80.86 94.46 2.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.675 0.75 . . . . 73.2 110.196 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' HB2' HG21 ' A' ' 74' ' ' VAL . 10.1 t80 -96.84 133.06 41.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.476 -0.784 . . . . 63.04 109.554 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -62.52 84.31 0.02 OUTLIER 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.676 0.621 . . . . 70.11 112.676 -176.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HE ' ' HB ' ' A' ' 119' ' ' ILE . 91.6 mtt180 -50.17 -41.05 48.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.294 -0.866 . . . . 70.43 111.826 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -53.9 -54.71 34.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.275 0.56 . . . . 63.52 111.056 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.98 -38.05 79.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.432 -0.804 . . . . 73.2 110.378 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -61.17 -41.13 96.23 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.009 0.433 . . . . 73.23 110.527 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.35 -51.87 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.85 -0.614 . . . . 52.34 110.24 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -56.44 -50.09 72.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.967 -0.56 . . . . 65.33 110.719 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.93 -56.99 14.88 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.534 -0.757 . . . . 63.1 110.573 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -61.88 -41.95 98.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.635 -0.711 . . . . 74.43 111.371 -175.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.35 -42.8 82.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.732 0.301 . . . . 61.14 110.86 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.01 68.9 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.229 -0.441 . . . . 73.43 111.019 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.485 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.4 mm? -80.17 -12.71 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.411 -0.358 . . . . 74.52 110.633 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 68.59 48.67 0.79 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.017 -0.538 . . . . 74.53 111.707 174.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.7 mm? -84.73 133.88 34.36 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.777 -0.453 . . . . 73.12 109.777 173.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 79' ' ' GLN . 20.0 m -111.4 163.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.227 -0.657 . . . . 63.31 109.227 174.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.11 -129.39 4.05 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.667 -0.973 . . . . 63.55 110.667 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 149.67 5.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.218 0.509 . . . . 74.34 110.926 177.281 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' HB ' ' CD2' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -139.32 149.39 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.973 -0.381 . . . . 72.34 109.973 175.19 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.539 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.7 t -161.69 161.83 29.58 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.899 0.749 . . . . 62.0 110.14 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.518 ' HA ' ' HA ' ' A' ' 74' ' ' VAL . 56.8 t30 -95.76 164.49 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.419 -0.586 . . . . 73.4 109.419 174.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -130.96 153.26 49.38 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 74.0 109.114 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -61.87 -12.13 16.2 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.842 0.353 . . . . 73.5 111.07 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -65.21 -19.47 65.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.575 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.51 43.73 6.07 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 110.52 -1.032 . . . . 64.4 110.52 -171.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.493 ' HB3' HG22 ' A' ' 41' ' ' THR . 63.8 p -151.05 133.54 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.403 -0.399 . . . . 74.3 110.722 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 68' ' ' ASN . 59.4 t -92.57 115.0 30.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.37 -0.604 . . . . 61.55 109.37 177.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.3 p -115.17 156.96 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.975 -0.557 . . . . 50.11 110.685 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.95 -165.62 36.34 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.256 -0.497 . . . . 53.55 112.266 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.63 135.51 34.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 C-N-CA 122.919 0.488 . . . . 74.14 109.954 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.24 136.53 49.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 124.011 0.819 . . . . 63.53 110.06 176.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HB2' HG23 ' A' ' 63' ' ' VAL . 35.0 mt-30 -132.54 151.72 51.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.04 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.91 -170.27 24.59 Favored Glycine 0 N--CA 1.453 -0.207 0 N-CA-C 111.402 -0.679 . . . . 73.2 111.402 177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.518 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.4 Cg_endo -57.34 138.75 87.64 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.332 2.022 . . . . 73.32 111.339 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.559 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -52.87 -33.06 48.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.411 0.522 . . . . 71.14 112.411 -173.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.559 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 9.5 pt-20 -70.02 -34.18 72.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.989 0.424 . . . . 53.44 110.937 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.518 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.9 mp0 -74.93 -43.11 55.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 73.41 110.428 178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.29 -39.86 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.016 -0.735 . . . . 73.43 109.016 173.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 28.4 t70 -60.8 -42.29 97.31 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 115.241 -0.891 . . . . 72.04 110.412 174.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.43 81.41 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.17 0.51 . . . . 62.15 110.28 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -66.95 -38.53 86.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.647 -0.706 . . . . 72.11 111.181 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 86' ' ' ASP . 6.7 p -68.62 -38.07 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 120.955 -0.298 . . . . 71.34 110.513 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 74.8 mmtt -60.64 -47.44 86.22 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.835 -0.802 . . . . 73.32 108.835 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -56.32 -38.96 72.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.952 -1.022 . . . . 71.31 110.798 175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -37.41 81.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 60.14 110.194 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.444 ' HD2' ' O ' ' A' ' 89' ' ' VAL . 16.2 m-70 -71.51 -23.48 61.79 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.318 -0.401 . . . . 73.34 110.437 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 11.3 mmmm -65.8 -42.38 90.76 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.04 0.448 . . . . 75.41 110.071 176.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.38 176.26 46.65 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.592 -0.731 . . . . 31.54 112.537 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 99' ' ' SER . 38.3 m -79.6 154.11 76.1 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 110.469 -0.197 . . . . 75.45 110.469 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -51.54 -54.56 5.15 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.045 2.497 . . . . 63.34 113.186 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.417 ' HB2' ' HZ3' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -120.99 -26.52 5.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.534 -0.303 . . . . 75.23 111.016 -177.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 96' ' ' SER . 10.1 m -70.84 78.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.86 -0.793 . . . . 65.2 108.86 172.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.41 140.17 13.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.349 -0.842 . . . . 74.34 111.494 -175.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.53 139.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.808 -0.633 . . . . 73.33 110.148 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -82.9 -51.21 7.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 64.2 110.034 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 46.4 tttm -166.64 144.39 5.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.883 -0.599 . . . . 72.44 110.018 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.28 144.44 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.024 -0.361 . . . . 63.52 110.024 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.0 m -137.98 129.21 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.136 -0.69 . . . . 74.04 109.136 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.92 152.68 24.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 109.833 -0.432 . . . . 72.12 109.833 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 4.9 t60 -135.08 145.88 48.37 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.21 0.529 . . . . 63.51 111.4 -176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.42 6.5 2.92 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.867 1.267 . . . . 71.54 114.346 -172.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.736 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 53.2 m -59.88 138.04 57.91 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.417 0.627 . . . . 75.32 112.176 -167.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.6 p -76.03 178.56 6.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 114.788 -1.097 . . . . 61.2 112.068 -174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -50.5 124.18 10.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.671 -0.695 . . . . 70.34 112.165 -173.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -112.09 175.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.963 -0.754 . . . . 51.15 108.963 172.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -92.3 126.93 37.59 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.763 -0.458 . . . . 74.32 109.763 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.52 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.825 -0.625 . . . . 61.52 112.544 -173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.546 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 23.0 m-20 -115.23 -56.36 2.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.701 -0.681 . . . . 74.33 109.914 174.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.463 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.57 149.18 5.0 Favored Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.783 -0.644 . . . . 52.42 112.414 -176.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.475 ' CD2' ' HB ' ' A' ' 66' ' ' VAL . 54.5 m-85 -91.63 111.74 23.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.657 -0.32 . . . . 64.33 110.363 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 12.6 pt-20 -162.82 135.86 5.76 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 110.333 -0.247 . . . . 71.34 110.333 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.476 HG23 ' HB2' ' A' ' 68' ' ' ASN . 40.2 mm -72.33 86.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.438 0.637 . . . . 71.13 110.341 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.539 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 93.5 mtt180 -83.88 144.45 29.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 61.44 109.97 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.399 -0.81 . . . . 75.33 110.261 -177.444 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.106 0.479 . . . . 72.33 110.408 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.27 109.34 21.24 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.818 -0.628 . . . . 63.04 109.97 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -76.82 79.71 3.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.253 0.549 . . . . 73.32 110.409 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -69.67 118.74 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.421 -0.809 . . . . 74.33 109.797 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -63.22 -47.5 82.22 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.568 0.21 . . . . 72.12 111.568 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.7 t60 69.42 -31.63 0.21 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.749 1.388 . . . . 74.41 114.749 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -55.02 121.91 9.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.265 0.484 . . . . 74.24 111.997 -173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -121.2 111.14 17.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.783 -0.644 . . . . 71.51 109.635 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.7 ttm -105.57 150.97 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.546 -0.297 . . . . 63.23 110.996 -175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.94 171.58 14.04 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.557 -0.617 . . . . 74.43 111.557 174.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 m -125.25 160.64 28.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.235 -0.283 . . . . 73.24 110.235 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.8 mp -109.79 144.94 37.51 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.822 -0.436 . . . . 73.43 109.822 176.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -131.3 176.53 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.491 -0.322 . . . . 62.32 110.241 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.57 125.57 8.52 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.294 -0.412 . . . . 75.13 110.439 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -111.41 165.11 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.458 -0.337 . . . . 73.33 110.234 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.11 -176.2 4.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.079 0.466 . . . . 72.31 111.557 -175.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -130.18 155.17 46.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.861 -0.609 . . . . 71.34 109.811 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.15 140.64 7.13 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.277 -0.487 . . . . 71.43 111.941 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -94.87 -157.35 0.05 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.421 2.748 . . . . 74.15 112.023 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.94 158.87 28.04 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 111.339 -0.704 . . . . 74.25 111.339 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -94.34 172.98 7.86 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 109.959 -0.386 . . . . 73.15 109.959 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 43.1 tpp -163.29 130.81 3.55 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.762 0.315 . . . . 73.31 111.185 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -151.9 129.12 11.19 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.256 -0.646 . . . . 74.11 109.256 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.59 168.43 26.56 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.147 -0.549 . . . . 71.41 113.223 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -161.23 107.86 1.42 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 122.994 0.518 . . . . 60.0 109.613 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.535 ' SD ' ' N ' ' A' ' 26' ' ' MET . 1.3 mpt? -110.63 150.81 42.26 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.67 -175.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.64 -178.61 4.42 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.72 2.28 . . . . 74.34 111.783 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -152.11 -171.39 3.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.949 -0.389 . . . . 70.24 109.949 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m 68.61 151.03 0.08 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.096 0.558 . . . . 73.11 111.212 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.0 p -144.75 -57.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 75.4 110.946 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.15 145.71 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.783 -0.644 . . . . 62.5 110.921 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -111.13 -31.47 7.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.115 0.483 . . . . 74.21 109.765 171.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -138.34 130.97 39.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.578 -0.737 . . . . 64.33 109.849 177.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -84.87 135.27 34.15 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.435 -0.58 . . . . 71.11 109.435 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 79' ' ' GLN . 95.2 m -142.99 133.75 25.29 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.401 -0.222 . . . . 74.11 110.401 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' A' ' 106' ' ' ILE . 4.9 mp -147.51 140.56 25.07 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.067 -0.515 . . . . 70.33 110.494 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 59.3 m -81.87 140.32 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 71.23 110.299 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -112.32 141.18 46.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.92 0.391 . . . . 74.21 111.177 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' A' ' 105' ' ' SER . 9.3 ttp180 -147.41 110.77 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 74.33 109.096 172.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.86 149.2 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.737 0.303 . . . . 72.44 110.773 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 12.8 p -106.69 135.32 48.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.343 -0.389 . . . . 74.2 110.703 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.51 114.9 3.91 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 121.113 -0.565 . . . . 41.4 112.113 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -76.72 -41.5 44.9 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.131 0.491 . . . . 54.14 110.056 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 99' ' ' SER . 59.2 t -106.58 132.52 53.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.51 -0.768 . . . . 73.31 109.873 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -68.42 88.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.528 . . . . 75.34 110.272 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.8 151.36 23.1 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.425 -0.807 . . . . 52.52 111.504 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.49 119.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 73.2 111.465 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HD2' HD11 ' A' ' 119' ' ' ILE . 44.4 t80 -68.69 102.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 107.852 -1.166 . . . . 63.04 107.852 171.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 48.3 m-85 -59.68 91.56 0.02 OUTLIER 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.591 0.589 . . . . 70.11 112.591 -172.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.555 ' HB3' HG12 ' A' ' 119' ' ' ILE . 14.4 ptm180 -54.48 -26.44 31.37 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.192 -0.913 . . . . 70.43 110.621 173.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -45.34 84.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.744 0.306 . . . . 63.52 110.274 -179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -74.05 -34.73 64.16 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.059 -0.348 . . . . 73.2 110.059 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.5 m -60.84 -39.35 88.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 73.23 110.024 175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 9.0 mtpm? -71.4 -38.24 71.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.065 -0.516 . . . . 52.34 110.951 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.81 -52.17 66.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.253 0.549 . . . . 65.33 109.921 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -59.68 -57.21 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.287 -0.869 . . . . 63.1 110.544 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -58.13 -45.41 87.4 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.298 -0.865 . . . . 74.43 111.641 -176.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.69 -44.27 70.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.767 0.318 . . . . 61.14 111.262 -176.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.67 88.22 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.104 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 3.8 mm? -83.41 -11.71 57.26 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.022 -0.535 . . . . 74.52 110.745 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m 67.82 46.93 1.19 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.243 0.617 . . . . 74.53 112.121 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.24 138.63 33.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.827 -0.624 . . . . 73.12 109.417 171.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 79' ' ' GLN . 33.2 m -111.6 158.84 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.022 -0.732 . . . . 63.31 109.022 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.64 -141.48 9.8 Favored Glycine 0 C--N 1.32 -0.352 0 N-CA-C 110.84 -0.904 . . . . 63.55 110.84 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.03 147.33 5.57 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 117.301 0.55 . . . . 74.34 111.572 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.8 148.54 24.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-N 115.952 -0.567 . . . . 72.34 109.631 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 10.9 t -157.29 161.85 39.15 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 124.216 0.948 . . . . 62.0 109.709 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.1 t-20 -107.25 130.57 54.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.072 0.463 . . . . 73.4 110.937 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.36 155.53 18.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.971 -0.559 . . . . 74.0 109.931 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.94 -24.65 39.35 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.772 0.429 . . . . 73.5 111.711 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.47 -11.06 59.25 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.28 -0.418 . . . . 73.01 111.58 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.73 21.13 48.47 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.341 -0.704 . . . . 64.4 111.341 -174.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 p -112.08 138.66 48.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.858 -0.423 . . . . 74.3 109.858 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.95 121.22 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.652 -0.499 . . . . 61.55 109.652 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -124.27 164.32 19.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.691 0.282 . . . . 50.11 111.022 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.66 -161.14 34.36 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.193 -0.458 . . . . 53.55 112.183 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.68 140.61 33.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 122.694 0.397 . . . . 74.14 110.058 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.02 141.15 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.823 -0.436 . . . . 63.53 109.823 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.4 mt-30 -142.07 131.27 23.4 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.51 -0.552 . . . . 75.34 109.51 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.4 -169.87 37.03 Favored Glycine 0 N--CA 1.453 -0.19 0 N-CA-C 111.826 -0.51 . . . . 73.2 111.826 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.505 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 30.1 Cg_endo -63.8 141.12 77.22 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.465 2.11 . . . . 73.32 111.221 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -27.26 57.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.366 0.266 . . . . 71.14 111.591 -173.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 86' ' ' ASP . 63.6 mm-40 -64.44 -49.37 71.73 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.887 0.851 . . . . 53.44 110.392 177.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.505 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.4 mp0 -75.05 -31.02 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.094 -0.957 . . . . 73.41 110.618 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.155 -0.683 . . . . 73.43 109.155 173.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 83' ' ' GLU . 19.1 t70 -59.73 -48.34 82.06 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.565 -0.743 . . . . 72.04 110.052 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.86 63.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.777 -0.647 . . . . 62.15 110.681 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.2 t80 -66.57 -45.7 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.234 -0.894 . . . . 72.11 111.263 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 86' ' ' ASP . 9.4 p -64.85 -35.25 74.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.915 0.388 . . . . 71.34 110.425 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -69.47 -37.36 77.26 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.331 -0.395 . . . . 73.32 110.445 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -60.46 -40.79 92.49 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.33 -0.619 . . . . 71.31 109.33 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -36.72 84.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.562 -0.745 . . . . 60.14 110.285 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.65 -29.17 67.86 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.297 -0.411 . . . . 73.34 110.16 176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.599 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 1.7 tpmt? -80.02 -37.32 34.33 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.829 -0.623 . . . . 75.41 109.892 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.86 -117.81 4.58 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.485 -0.779 . . . . 31.54 112.203 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -126.42 144.73 50.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.573 -0.528 . . . . 75.45 109.573 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.29 -15.43 49.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.972 1.782 . . . . 63.34 111.397 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 57.3 tptt -97.57 -26.63 14.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.107 -0.497 . . . . 75.23 110.888 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.487 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 4.9 p -142.67 129.57 20.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.086 0.47 . . . . 65.2 110.993 -175.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.6 t -87.11 152.63 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.061 -0.518 . . . . 74.34 109.831 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -78.12 131.55 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.98 0.419 . . . . 73.33 110.659 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 62.7 tttm -77.41 -51.1 11.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.643 -0.873 . . . . 64.2 108.643 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -162.91 148.51 12.01 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.111 -0.95 . . . . 72.44 109.467 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.6 p -116.26 143.83 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 63.52 110.398 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.408 ' HB2' ' HE ' ' A' ' 39' ' ' ARG . 37.7 m -133.53 126.97 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 74.04 109.66 -176.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 36' ' ' LEU . 12.1 mm -117.72 155.93 19.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 16.7 t60 -137.79 144.75 41.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.361 . . . . 63.51 110.734 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.37 6.46 1.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.11 1.522 . . . . 71.54 115.11 -170.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.593 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 70.4 m -59.64 133.49 56.14 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.581 0.628 . . . . 75.32 112.125 -167.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.1 p -69.43 178.32 2.49 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.189 -0.914 . . . . 61.2 112.504 -174.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' HG3' HE21 ' A' ' 79' ' ' GLN . 45.1 ttp180 -52.82 138.2 30.01 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.608 -0.723 . . . . 70.34 111.838 -172.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.72 176.16 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 115.712 -0.676 . . . . 51.15 110.506 -176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.99 124.53 24.58 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.003 -0.544 . . . . 74.32 110.023 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 61.52 111.043 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 22.9 t70 -140.72 -51.72 0.47 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.915 -0.584 . . . . 74.33 110.404 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 150.98 141.32 3.33 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.044 -0.526 . . . . 52.42 112.564 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -85.38 112.61 21.0 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.504 -0.554 . . . . 64.33 109.504 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 14.9 pt-20 -156.29 169.67 24.03 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.386 -0.525 . . . . 71.34 110.56 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.609 HG23 ' HB2' ' A' ' 68' ' ' ASN . 36.6 mm -102.59 86.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.268 0.556 . . . . 71.13 110.172 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.489 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 49.9 mtt180 -87.4 144.24 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.78 -1.1 . . . . 61.44 109.794 175.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 118.292 -0.861 . . . . 75.33 109.846 179.82 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.483 1.206 0 CA-C-O 120.622 0.249 . . . . 72.33 110.34 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.56 131.34 53.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.577 -0.283 . . . . 63.04 110.315 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -116.59 98.16 6.39 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.259 -0.645 . . . . 73.32 109.259 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -68.26 139.66 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.781 -0.645 . . . . 74.33 111.586 -174.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -158.33 168.91 25.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.242 -1.021 . . . . 72.12 108.242 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -131.16 139.32 49.75 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.932 0.396 . . . . 74.41 111.577 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -136.71 115.27 11.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.616 -0.72 . . . . 74.24 109.286 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -67.3 156.42 36.45 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.398 -0.365 . . . . 71.51 111.136 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 55.7 ttp -54.53 111.85 0.89 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.079 -0.51 . . . . 63.23 111.036 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.79 41.03 0.59 Allowed Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.16 -0.776 . . . . 74.43 111.16 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.5 p -111.65 152.36 27.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.933 0.397 . . . . 73.24 111.338 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.02 164.15 24.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.732 -0.667 . . . . 73.43 109.485 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.16 139.55 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.846 -0.427 . . . . 62.32 109.846 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.954 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -92.97 15.24 15.42 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.556 1.169 . . . . 73.33 111.206 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 t -155.17 -173.53 4.6 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-N 112.666 -2.061 . . . . 72.31 110.021 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -146.18 -178.32 6.08 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 122.522 0.329 . . . . 71.34 110.188 -178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.99 125.11 35.65 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.467 -0.653 . . . . 71.43 111.467 173.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.7 8.26 3.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.899 2.399 . . . . 74.15 113.028 -174.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 22' ' ' MET . . . -74.95 -104.24 0.09 OUTLIER Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.167 -0.54 . . . . 74.25 112.298 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p 46.54 33.68 2.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.533 0.733 . . . . 73.15 111.955 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 20' ' ' GLY . 26.4 mmt -136.24 135.56 39.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 73.31 109.713 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.49 179.1 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.439 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -173.91 87.02 0.08 OUTLIER Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.99 -0.624 . . . . 71.41 112.162 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 p -73.9 151.83 40.32 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 110.232 -0.284 . . . . 60.0 110.232 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 26' ' ' MET . 1.5 pmm? -129.63 136.69 29.48 Favored Pre-proline 0 C--O 1.234 0.275 0 CA-C-N 116.573 -0.285 . . . . 62.34 111.113 -176.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 12.9 Cg_exo -71.42 -175.41 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.941 2.427 . . . . 74.34 111.528 174.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 m -148.43 159.28 44.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 70.24 111.087 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.6 p -166.09 106.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.823 -0.626 . . . . 73.11 109.758 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 m -82.92 138.53 33.8 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.44 -0.346 . . . . 75.4 111.09 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.54 144.9 56.17 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.23 -0.441 . . . . 62.5 110.452 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.67 -31.66 36.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.21 111.781 -172.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.72 137.47 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.559 -0.291 . . . . 64.33 110.32 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 m -92.92 141.59 28.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.611 -0.515 . . . . 71.11 109.611 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.1 m -143.74 137.45 28.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.741 0.305 . . . . 74.11 110.779 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.09 140.98 29.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 70.33 109.339 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 43.6 t -91.29 136.68 32.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.422 -0.584 . . . . 71.23 109.422 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.54 141.63 44.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 74.21 110.756 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -150.38 110.42 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.699 -0.682 . . . . 74.33 109.454 174.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 104' ' ' VAL . 14.5 p -107.6 147.31 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.985 -0.376 . . . . 72.44 109.985 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.0 p -116.96 117.15 28.89 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.856 -0.794 . . . . 74.2 108.856 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 101' ' ' VAL . . . -156.78 178.26 33.3 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.527 -0.844 . . . . 41.4 113.383 -174.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -99.61 88.38 3.82 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 123.721 0.808 . . . . 54.14 110.062 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -81.9 95.17 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.775 0.797 . . . . 73.31 110.878 -178.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . 82.2 mm-40 -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.107 -0.701 . . . . 75.34 109.107 175.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.42 -110.66 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 111.041 -0.824 . . . . 52.52 111.041 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -138.7 152.13 24.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.802 0.334 . . . . 73.2 110.757 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' HB3' ' CD1' ' A' ' 119' ' ' ILE . 35.7 t80 -69.57 115.56 8.96 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.22 -1.03 . . . . 63.04 108.22 174.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -54.35 97.09 0.02 OUTLIER 'General case' 0 C--O 1.241 0.643 0 N-CA-C 113.191 0.812 . . . . 70.11 113.191 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.737 ' HD3' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mmm180 -55.63 -29.19 58.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.114 -0.948 . . . . 70.43 111.086 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -59.63 -50.63 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 63.52 110.803 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -78.18 -32.02 49.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.843 -0.617 . . . . 73.2 110.524 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -61.45 -47.88 83.7 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.078 0.466 . . . . 73.23 110.009 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -62.74 -48.27 79.92 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.388 -0.824 . . . . 52.34 110.104 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 56' ' ' GLU . 1.6 tmtm? -52.53 -51.7 58.36 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.31 -0.405 . . . . 65.33 110.48 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 4.5 tp10 -63.02 -58.61 6.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.044 -0.525 . . . . 63.1 110.939 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.496 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . . . -63.59 -44.66 93.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.741 -0.663 . . . . 74.43 111.49 -175.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.59 -37.62 85.28 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.348 -0.387 . . . . 61.14 111.149 -177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.14 66.56 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.71 0.29 . . . . 73.43 111.475 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.8 -4.67 54.64 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.194 0.442 . . . . 74.52 112.194 -174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m 68.26 49.11 0.85 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.26 0.467 . . . . 74.53 112.26 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' HB3' HG13 ' A' ' 78' ' ' VAL . 2.8 mm? -97.89 133.7 42.02 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.762 -0.829 . . . . 73.12 108.762 168.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 79' ' ' GLN . 34.0 m -123.28 172.03 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.853 -0.425 . . . . 63.31 109.853 176.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 143.78 -120.98 1.56 Allowed Glycine 0 C--O 1.236 0.256 0 N-CA-C 111.163 -0.775 . . . . 63.55 111.163 -176.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.589 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.36 150.66 6.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.089 0.444 . . . . 74.34 111.447 176.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.03 146.0 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 116.503 -0.317 . . . . 72.34 110.942 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.524 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.3 t -155.18 161.81 41.11 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.754 0.822 . . . . 62.0 109.178 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.639 ' HB2' HG23 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -122.54 115.66 22.56 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.842 0.353 . . . . 73.4 110.594 -175.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.53 149.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.327 -0.397 . . . . 74.0 109.969 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -50.85 -38.93 52.05 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.284 0.476 . . . . 73.5 112.284 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.02 -19.83 62.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.568 -172.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' HA2' HG12 ' A' ' 44' ' ' VAL . . . 128.54 -27.6 4.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 64.4 112.852 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -63.58 131.45 48.09 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.701 0.286 . . . . 74.3 110.824 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.508 ' HB ' HG12 ' A' ' 40' ' ' VAL . 36.2 t -103.36 132.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.263 -0.643 . . . . 61.55 109.263 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.7 p -130.64 152.78 49.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.887 0.375 . . . . 50.11 110.759 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 175.51 -167.46 39.4 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.951 -0.568 . . . . 53.55 111.828 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 45.9 t -140.11 138.06 37.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 110.104 -0.332 . . . . 74.14 110.104 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 62' ' ' LEU . 75.0 t -116.44 137.82 48.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 O-C-N 123.703 0.627 . . . . 63.53 109.88 175.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.605 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.9 pt20 -142.55 127.34 18.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.007 -0.542 . . . . 75.34 109.942 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.99 -143.68 8.21 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.353 -0.699 . . . . 73.2 111.353 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.14 129.77 8.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.641 2.227 . . . . 73.32 111.296 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.46 -35.14 5.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.054 0.761 . . . . 71.14 113.054 -176.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 5.4 pt-20 -70.63 -44.2 67.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 53.44 111.394 -178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.412 ' HB3' HD21 ' A' ' 62' ' ' LEU . 2.2 mp0 -70.8 -34.3 71.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 73.41 110.39 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 89' ' ' VAL . 85.1 t -59.35 -45.75 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 109.192 -0.67 . . . . 73.43 109.192 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.46 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 8.6 t70 -55.0 -49.76 70.7 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.517 -0.765 . . . . 72.04 109.966 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.14 -39.0 66.1 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.526 -0.761 . . . . 62.15 111.036 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.496 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 7.8 t80 -70.53 -34.3 72.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 72.11 110.122 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.3 t -61.06 -43.66 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 121.245 0.545 . . . . 71.34 109.763 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -62.97 -38.79 92.54 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.68 -0.691 . . . . 73.32 110.283 177.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -59.78 -44.42 93.9 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.155 0.502 . . . . 71.31 109.735 175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.521 HD12 ' HB ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -62.47 -35.61 79.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.557 -0.747 . . . . 60.14 110.663 178.227 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -73.0 -21.71 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 73.34 110.792 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 90' ' ' LYS . 34.2 mmtp -83.12 -33.68 26.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.804 0.335 . . . . 75.41 110.118 175.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.13 -132.1 20.99 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 115.927 -0.579 . . . . 31.54 112.199 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.7 p -160.79 148.74 12.7 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 109.986 -0.376 . . . . 75.45 109.986 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -37.13 -55.78 0.88 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 124.519 3.479 . . . . 63.34 114.831 -173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 45' ' ' GLN . 8.3 mtpm? -99.49 15.25 27.08 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.874 0.324 . . . . 75.23 111.874 -172.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -124.68 92.99 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.102 -0.703 . . . . 65.2 109.102 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.8 91.72 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 121.54 0.686 . . . . 74.34 110.591 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.459 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 27.0 m -69.09 143.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.873 -1.058 . . . . 73.33 111.0 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.39 -56.83 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 64.2 110.512 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -147.22 128.45 14.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.274 -0.421 . . . . 72.44 110.809 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.591 HG22 HG23 ' A' ' 40' ' ' VAL . 34.9 t -98.25 147.83 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.529 -0.545 . . . . 63.52 109.529 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -137.94 126.43 23.44 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.889 -0.411 . . . . 74.04 109.889 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 mm -112.65 152.21 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.757 -0.46 . . . . 72.12 109.757 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 33.4 t-80 -133.17 149.06 52.07 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.974 0.416 . . . . 63.51 110.918 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.43 6.08 1.53 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.066 1.506 . . . . 71.54 115.066 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.3 m -59.44 139.18 57.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.18 0.514 . . . . 75.32 112.367 -166.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.5 p -75.09 178.57 5.58 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.881 -1.054 . . . . 61.2 111.983 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 112' ' ' VAL . 7.3 tmm_? -56.9 143.32 38.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.099 -0.501 . . . . 70.34 111.081 -176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.442 ' N ' ' HD2' ' A' ' 111' ' ' ARG . 27.5 m -135.4 176.28 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.619 -0.719 . . . . 51.15 110.988 -171.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.55 122.09 28.09 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.488 -0.56 . . . . 74.32 109.488 171.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.7 127.09 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 61.52 110.952 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.589 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 21.3 t70 -101.62 -49.62 3.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.017 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.37 144.14 4.14 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.904 -0.589 . . . . 52.42 112.696 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -89.48 112.03 23.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.133 -0.692 . . . . 64.33 109.133 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.737 ' HA ' ' HD3' ' A' ' 50' ' ' ARG . 10.8 pt-20 -162.68 133.52 4.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.187 0.518 . . . . 71.34 111.064 178.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.639 HG23 ' HB2' ' A' ' 68' ' ' ASN . 42.5 mm -72.35 86.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.555 0.693 . . . . 71.13 110.839 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.524 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 60.1 mtt180 -84.43 141.1 31.06 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.082 -0.963 . . . . 61.44 110.363 177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.472 -0.785 . . . . 75.33 109.854 -179.458 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 1' ' ' MET . 26.8 ttt . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.115 0.483 . . . . 72.33 110.297 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.98 104.02 1.99 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.829 0.347 . . . . 63.04 111.475 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -129.26 88.24 2.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.411 -0.589 . . . . 73.32 109.411 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -53.08 115.43 1.87 Allowed 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.015 0.436 . . . . 74.33 109.912 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -138.48 141.79 39.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 72.12 110.206 -171.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -100.7 143.5 30.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 74.41 110.766 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -130.68 123.64 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 74.24 109.88 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -96.83 151.5 19.6 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.268 0.556 . . . . 71.51 111.788 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 59.2 mtt -140.5 132.03 27.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.201 -1.037 . . . . 63.23 108.201 169.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.56 174.26 31.46 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.493 -0.861 . . . . 74.43 113.045 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.5 p -78.65 126.27 30.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.397 0.279 . . . . 73.24 110.688 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.1 mp -77.97 -11.36 59.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.917 0.389 . . . . 73.43 110.412 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -89.57 162.19 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 62.32 111.273 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.55 136.5 24.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.668 -0.696 . . . . 75.13 109.711 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.29 160.58 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 73.33 110.849 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.1 m -67.1 112.78 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.181 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -89.3 177.17 6.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 71.34 110.407 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.19 176.58 54.02 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.293 -0.48 . . . . 71.43 112.715 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.97 -21.22 32.82 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.703 2.269 . . . . 74.15 112.443 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.22 -126.3 7.54 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.116 -0.564 . . . . 74.25 112.179 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -162.74 -172.5 3.12 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.81 0.338 . . . . 73.15 110.239 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -125.79 153.05 44.6 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 122.907 0.483 . . . . 73.31 109.76 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -71.73 117.33 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.748 -0.205 . . . . 74.11 110.494 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 173.3 50.5 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.293 -0.479 . . . . 71.41 112.309 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.5 t -135.27 175.98 9.09 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.914 -0.402 . . . . 60.0 109.914 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.427 ' HG3' ' HD2' ' A' ' 27' ' ' PRO . 25.6 ttt -153.55 135.25 8.86 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.567 -0.288 . . . . 62.34 110.702 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' HG3' ' A' ' 26' ' ' MET . 84.6 Cg_endo -75.75 148.45 32.47 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.267 2.645 . . . . 74.34 112.413 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 p -87.3 108.68 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 70.24 110.386 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 p -100.46 98.91 9.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.058 -0.349 . . . . 73.11 110.058 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 p -79.15 73.63 5.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.727 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -71.62 113.23 8.44 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.558 -0.746 . . . . 62.5 109.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' OD2' HG23 ' A' ' 33' ' ' VAL . 5.6 p-10 -69.85 -31.88 69.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.462 -0.335 . . . . 74.21 110.923 -173.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.401 HG23 ' OD2' ' A' ' 32' ' ' ASP . 47.6 t -113.65 97.56 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 107.843 -1.169 . . . . 64.33 107.843 168.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -76.16 111.62 11.77 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.622 -0.717 . . . . 71.11 110.295 -167.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.541 HG23 ' HG2' ' A' ' 79' ' ' GLN . 58.7 m -114.82 133.63 55.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.02 -0.991 . . . . 74.11 109.872 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -139.32 132.19 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.517 -0.549 . . . . 70.33 109.517 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 42.1 t -88.02 133.81 33.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.431 -0.581 . . . . 71.23 109.431 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.44 148.76 32.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.998 0.427 . . . . 74.21 110.925 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -151.62 113.76 4.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.203 -0.908 . . . . 74.33 109.09 171.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.56 136.08 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.421 -0.585 . . . . 72.44 109.421 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 73' ' ' SER . 18.9 p -102.52 150.82 23.01 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.45 -0.574 . . . . 74.2 109.45 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 45' ' ' GLN . . . -107.59 155.93 16.09 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.014 -0.612 . . . . 41.4 111.839 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.6 ' HA ' ' HE3' ' A' ' 102' ' ' LYS . 23.5 tptm -64.3 -50.43 67.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.289 -0.634 . . . . 54.14 109.289 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.04 87.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.448 -0.796 . . . . 73.31 109.324 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HA3' ' A' ' 42' ' ' GLY . 46.6 mt-30 67.93 178.51 0.24 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.881 -0.6 . . . . 75.34 111.104 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.26 63.3 0.36 Allowed Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.021 -0.609 . . . . 52.52 112.542 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 m -81.28 80.42 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.602 0.715 . . . . 73.2 110.183 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HB2' HG21 ' A' ' 74' ' ' VAL . 17.7 t80 -92.39 134.88 34.51 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.508 -0.769 . . . . 63.04 110.835 -173.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.7 84.32 0.07 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.905 0.859 . . . . 70.11 112.567 -178.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.481 ' HB3' HG12 ' A' ' 119' ' ' ILE . 11.4 ptp85 -52.21 -39.54 60.34 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 114.29 -1.323 . . . . 70.43 112.026 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 31.6 mmtp -61.44 -57.86 10.51 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.411 -0.359 . . . . 63.52 111.039 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -65.32 -30.42 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.506 . . . . 73.2 110.516 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 m -57.85 -51.27 70.28 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.515 0.674 . . . . 73.23 110.091 172.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -65.23 -33.26 75.57 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.232 -0.895 . . . . 52.34 110.386 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -67.11 -48.35 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 65.33 110.483 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -56.66 -53.73 54.31 Favored 'General case' 0 C--O 1.244 0.774 0 CA-C-O 121.39 0.614 . . . . 63.1 109.613 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -56.92 -47.85 79.63 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.19 -0.914 . . . . 74.43 111.283 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -66.44 -32.92 74.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.424 -0.353 . . . . 61.14 111.066 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.47 -47.34 64.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.144 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -99.68 4.67 45.68 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.228 0.455 . . . . 74.52 112.228 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.7 t 68.16 38.81 2.53 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.086 0.555 . . . . 74.53 111.571 171.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.83 133.73 35.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.029 -0.73 . . . . 73.12 109.029 171.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' ' 79' ' ' GLN . 32.6 m -109.27 166.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.539 -0.541 . . . . 63.31 109.539 175.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.93 -139.35 8.65 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 110.934 -0.867 . . . . 63.55 110.934 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.33 157.89 11.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.776 0.288 . . . . 74.34 110.679 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -138.78 143.87 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.535 -0.302 . . . . 72.34 110.273 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.498 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 12.2 t -151.69 161.76 42.14 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 124.128 0.893 . . . . 62.0 110.308 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.506 ' HB2' HG23 ' A' ' 119' ' ' ILE . 23.0 t-20 -96.37 156.2 16.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.891 -0.411 . . . . 73.4 109.891 176.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -125.46 160.38 29.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.383 -0.371 . . . . 74.0 110.515 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.15 -12.13 47.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.976 -0.556 . . . . 73.5 111.039 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HB2' ' OG ' ' A' ' 73' ' ' SER . 3.0 m-20 -65.22 -15.63 62.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.347 174.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.99 19.53 61.0 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 110.226 -1.15 . . . . 64.4 110.226 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.634 ' HB3' HG22 ' A' ' 41' ' ' THR . 46.9 p -115.15 166.47 11.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.058 -0.571 . . . . 74.3 110.479 -176.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 48' ' ' PHE . 97.7 t -117.01 115.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.168 -0.679 . . . . 61.55 109.168 174.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -120.32 148.53 43.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.199 -0.455 . . . . 50.11 110.44 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.94 23.42 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.314 -0.714 . . . . 53.55 111.314 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -140.08 136.75 38.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.927 -0.398 . . . . 74.14 109.927 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.7 p -112.13 141.6 27.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 108.97 -0.752 . . . . 63.53 108.97 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.541 ' HG2' HG23 ' A' ' 35' ' ' THR . 3.1 mt-30 -141.02 125.89 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.687 -0.486 . . . . 75.34 109.687 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.68 -164.87 36.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 120.9 -0.667 . . . . 73.2 111.967 177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 28.6 Cg_endo -63.64 135.66 50.1 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.62 2.213 . . . . 73.32 111.548 176.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -29.89 43.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.43 -0.35 . . . . 71.14 111.907 -172.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.03 -50.48 55.16 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.451 -0.341 . . . . 53.44 111.062 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -67.27 -31.29 71.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 73.41 110.254 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.07 -39.72 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.935 0.398 . . . . 73.43 110.016 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 89' ' ' VAL . 17.8 t70 -62.55 -36.97 84.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 72.04 109.629 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.58 ' O ' ' HE3' ' A' ' 90' ' ' LYS . . . -65.84 -36.09 82.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.778 -0.646 . . . . 62.15 110.448 174.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.426 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 19.3 t80 -65.68 -47.11 76.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.387 -0.369 . . . . 72.11 110.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 86' ' ' ASP . 8.2 p -64.73 -34.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.407 -0.361 . . . . 71.34 110.289 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.58 ' HE3' ' O ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -53.38 -49.12 67.88 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 172.015 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -61.32 -43.94 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.461 -0.79 . . . . 71.31 110.925 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -39.8 95.16 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.335 -177.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -66.6 -8.7 28.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.105 -0.498 . . . . 73.34 111.924 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.38 -32.54 24.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.94 -0.393 . . . . 75.41 109.94 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.09 179.36 21.31 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.658 -0.701 . . . . 31.54 113.012 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.486 ' OG ' ' HB2' ' A' ' 99' ' ' SER . 3.8 p -75.28 141.08 73.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 122.282 0.233 . . . . 75.45 110.517 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 31.2 Cg_exo -59.56 -55.85 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.937 2.425 . . . . 63.34 113.364 -173.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -94.93 -17.85 21.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.544 -0.298 . . . . 75.23 111.768 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.486 ' HB2' ' OG ' ' A' ' 96' ' ' SER . 10.4 m -100.23 127.48 46.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.456 -0.338 . . . . 65.2 110.396 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.49 136.72 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.385 0.612 . . . . 74.34 110.687 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -93.65 149.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.723 -1.126 . . . . 73.33 109.965 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.6 ' HE3' ' HA ' ' A' ' 43' ' ' LYS . 5.8 tppp? -93.4 -54.71 3.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 64.2 110.352 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -162.06 144.83 11.61 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.283 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -113.61 135.52 52.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.53 -0.544 . . . . 63.52 109.53 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.6 m -137.61 140.65 41.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.463 -0.335 . . . . 74.04 110.337 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.2 mm -121.77 161.98 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 72.12 109.599 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t60 -142.29 147.92 37.19 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.932 0.396 . . . . 63.51 110.652 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.15 5.69 1.16 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.199 1.185 . . . . 71.54 114.199 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 m -59.23 130.09 45.27 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.156 0.435 . . . . 75.32 111.846 -168.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 112' ' ' VAL . 23.1 t -78.2 178.66 7.42 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.379 -0.828 . . . . 61.2 111.785 -174.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HG3' HE21 ' A' ' 79' ' ' GLN . 51.8 ttp180 -47.13 130.72 12.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.867 0.867 . . . . 70.34 112.449 -172.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 110' ' ' SER . 30.5 m -129.07 176.33 8.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 115.286 -0.87 . . . . 51.15 110.105 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -74.97 114.45 13.46 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 110.067 -0.346 . . . . 74.32 110.067 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.22 169.7 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.981 -0.554 . . . . 61.52 110.528 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.94 -44.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.069 -0.252 . . . . 74.33 111.002 175.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 164.85 154.97 8.2 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.075 -1.06 . . . . 52.42 113.634 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -97.59 112.19 24.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.173 -0.677 . . . . 64.33 109.173 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 11.2 pt-20 -162.08 137.75 7.49 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.05 0.452 . . . . 71.34 110.716 177.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 68' ' ' ASN . 23.5 mm -69.41 86.46 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.529 0.68 . . . . 71.13 110.183 -176.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.501 ' HG3' ' HG3' ' A' ' 118' ' ' GLU . 59.1 mtt180 -85.66 138.23 32.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.88 -1.054 . . . . 61.44 110.952 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.445 -0.788 . . . . 75.33 109.5 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.913 0.387 . . . . 72.33 110.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.02 128.13 33.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 63.04 110.936 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -80.96 101.99 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.127 -0.694 . . . . 73.32 109.127 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -56.93 144.59 33.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.0 -0.545 . . . . 74.33 112.232 -174.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -161.69 179.07 8.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.272 -0.876 . . . . 72.12 109.076 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -64.82 143.35 58.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 74.41 111.255 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -144.1 103.77 4.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.598 -0.728 . . . . 74.24 109.911 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -133.37 132.46 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 71.51 109.994 -177.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -144.59 163.81 32.81 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.33 -0.395 . . . . 63.23 110.812 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.01 132.68 10.53 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 111.368 -0.693 . . . . 74.43 111.368 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 12' ' ' LEU . 23.1 m -93.65 161.76 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.746 0.308 . . . . 73.24 110.267 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' N ' HG22 ' A' ' 11' ' ' THR . 7.3 tt -147.15 132.29 18.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.356 -0.609 . . . . 73.43 109.356 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' N ' HD23 ' A' ' 12' ' ' LEU . 11.7 pt-20 -131.25 138.95 49.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 62.32 110.737 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.8 112.78 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 75.13 109.542 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -140.74 154.61 46.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.408 -0.36 . . . . 73.33 110.932 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -162.57 -176.11 4.84 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.059 -0.519 . . . . 72.31 109.953 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -127.26 175.99 7.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.829 0.347 . . . . 71.34 110.399 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.54 166.61 18.21 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.69 -0.686 . . . . 71.43 111.417 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -92.46 -154.79 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 123.077 2.518 . . . . 74.15 112.42 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.86 -170.93 19.75 Favored Glycine 0 CA--C 1.518 0.248 0 N-CA-C 111.608 -0.597 . . . . 74.25 111.608 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 m -147.51 177.4 9.28 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.853 0.326 . . . . 73.15 110.567 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.3 ptp -147.12 166.03 28.17 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.792 -0.447 . . . . 73.31 109.792 178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 24' ' ' GLY . 22.0 tt0 -128.45 159.62 34.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.744 -0.207 . . . . 74.11 110.5 -176.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' N ' ' HG2' ' A' ' 23' ' ' GLN . . . -112.7 -168.7 17.51 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 111.947 -0.461 . . . . 71.41 111.947 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.2 m -152.9 147.88 26.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.725 0.262 . . . . 60.0 110.354 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 86.3 mtp -118.49 129.47 25.36 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.353 -0.385 . . . . 62.34 110.676 -176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 24.1 Cg_exo -64.25 168.02 13.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.898 2.398 . . . . 74.34 112.255 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -94.78 164.53 12.9 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.504 -0.316 . . . . 70.24 110.754 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -89.55 139.57 30.4 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.741 0.305 . . . . 73.11 110.826 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 m -96.34 -30.92 13.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.293 -0.412 . . . . 75.4 110.924 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -81.08 90.43 6.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.065 0.459 . . . . 62.5 110.24 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -110.39 -31.45 7.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.413 0.625 . . . . 74.21 110.1 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.7 t -111.25 146.8 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.53 -0.759 . . . . 64.33 110.385 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -137.87 145.17 41.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 71.11 109.442 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.1 m -139.81 131.31 27.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 74.11 109.774 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -136.55 134.61 37.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.71 -0.478 . . . . 70.33 109.71 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.2 t -93.72 132.32 38.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.385 -0.598 . . . . 71.23 109.385 176.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.457 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 11.6 m-85 -111.85 150.89 29.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.201 0.524 . . . . 74.21 111.321 -174.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -154.53 110.42 3.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.226 -0.897 . . . . 74.33 109.138 170.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.22 143.52 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.267 -0.642 . . . . 72.44 109.267 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.6 p -102.44 125.54 49.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.243 -0.435 . . . . 74.2 111.397 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.62 140.1 18.55 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.833 -0.907 . . . . 41.4 110.833 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -57.15 -56.52 20.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.116 0.484 . . . . 54.14 110.154 -176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 m -122.7 85.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.732 -0.667 . . . . 73.31 109.751 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.747 ' HA ' ' HA3' ' A' ' 72' ' ' GLY . 13.8 pt20 39.21 50.53 1.91 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.573 -0.739 . . . . 75.34 111.227 -175.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.16 144.29 49.25 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 114.914 -1.039 . . . . 52.52 113.44 -173.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -92.94 -174.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.782 -0.451 . . . . 73.2 109.782 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HB2' HG21 ' A' ' 74' ' ' VAL . 3.2 t80 -134.3 132.34 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.995 -0.372 . . . . 63.04 109.995 -177.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -63.83 93.1 0.08 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.454 0.645 . . . . 70.11 112.508 -177.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.79 -39.0 57.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.209 -0.905 . . . . 70.43 111.342 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -52.08 -61.1 2.48 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.582 -0.735 . . . . 63.52 110.97 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -70.39 -29.44 66.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.469 -0.787 . . . . 73.2 111.196 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.3 m -62.22 -53.35 56.45 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 120.973 0.416 . . . . 73.23 110.2 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -64.31 -45.69 86.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.681 -0.69 . . . . 52.34 109.833 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -57.6 -52.2 66.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.434 -0.348 . . . . 65.33 111.03 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.77 -54.94 31.36 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.704 -0.68 . . . . 63.1 110.574 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 62' ' ' LEU . . . -59.75 -42.2 92.66 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.059 -0.518 . . . . 74.43 110.959 -177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.1 -39.57 93.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 61.14 111.006 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.82 -50.03 46.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.282 -0.417 . . . . 73.43 111.169 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.3 -6.0 59.05 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.603 -0.271 . . . . 74.52 111.442 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 m 67.68 51.41 0.82 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.241 0.543 . . . . 74.53 111.756 172.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 57' ' ' ALA . 2.9 mm? -89.16 144.26 26.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.041 -0.527 . . . . 73.12 109.843 174.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.8 m -119.09 155.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.901 -0.407 . . . . 63.31 109.901 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.81 -133.86 4.72 Favored Glycine 0 C--O 1.236 0.23 0 N-CA-C 111.462 -0.655 . . . . 63.55 111.462 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -167.0 156.46 10.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.012 0.406 . . . . 74.34 111.036 178.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 28.2 t -138.65 149.74 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 109.781 -0.451 . . . . 72.34 109.781 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.621 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 9.9 t -158.55 161.82 37.34 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.179 0.924 . . . . 62.0 109.819 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.693 ' HB2' HG23 ' A' ' 119' ' ' ILE . 26.9 t-20 -114.03 136.6 52.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.761 0.315 . . . . 73.4 110.351 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.545 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -92.46 161.63 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 74.0 110.351 -179.434 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.59 -23.88 63.31 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.967 0.413 . . . . 73.5 110.559 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.05 -17.85 64.8 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.604 -0.726 . . . . 73.01 111.179 177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.747 ' HA3' ' HA ' ' A' ' 45' ' ' GLN . . . 85.31 21.62 54.03 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.098 -0.801 . . . . 64.4 111.098 -172.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.1 m -108.47 132.42 53.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.807 -0.442 . . . . 74.3 109.807 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 48' ' ' PHE . 25.4 t -92.63 114.73 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.957 -0.386 . . . . 61.55 109.957 -178.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.4 p -118.18 161.07 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.584 -0.28 . . . . 50.11 110.713 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.21 -168.83 41.73 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.682 -0.567 . . . . 53.55 111.682 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 46.2 t -139.1 139.75 39.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.748 -0.464 . . . . 74.14 109.748 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 p -121.0 145.48 27.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 109.644 -0.502 . . . . 63.53 109.644 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt-30 -138.84 146.03 40.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.471 -0.566 . . . . 75.34 109.471 -177.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.61 -170.34 29.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 73.2 111.868 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 19.0 Cg_endo -62.5 149.54 90.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.443 2.096 . . . . 73.32 111.634 177.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.33 -48.19 46.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.734 -0.666 . . . . 71.14 111.445 -176.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -69.02 -33.95 74.45 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.521 -0.309 . . . . 53.44 111.588 -172.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.535 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.9 mp0 -74.14 -39.58 63.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 73.41 110.048 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.22 -36.13 74.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.515 -0.55 . . . . 73.43 109.515 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' ' HD3' ' A' ' 90' ' ' LYS . 31.0 t70 -63.87 -40.42 96.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.466 -0.788 . . . . 72.04 109.858 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.06 91.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.016 -0.538 . . . . 62.15 110.341 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 91' ' ' TYR . 28.8 t80 -65.32 -42.62 92.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.442 -0.799 . . . . 72.11 111.497 -177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 86' ' ' ASP . 10.0 p -68.51 -39.4 80.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 C-N-CA 120.837 -0.345 . . . . 71.34 110.668 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 86' ' ' ASP . 5.6 mptp? -60.76 -38.4 85.07 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.661 -0.496 . . . . 73.32 109.661 173.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 88' ' ' PHE . 13.6 t80 -59.18 -43.51 92.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.807 -0.633 . . . . 71.31 110.492 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -33.49 76.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.969 -0.559 . . . . 60.14 110.239 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -76.92 -7.83 56.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.957 -0.565 . . . . 73.34 111.615 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -68.38 -45.05 73.78 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.818 -0.438 . . . . 75.41 109.818 174.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.75 148.55 5.76 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.725 -0.67 . . . . 31.54 112.02 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 51.1 m -78.64 126.41 82.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.082 -0.34 . . . . 75.45 110.082 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.34 -31.44 93.86 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.637 2.225 . . . . 63.34 112.546 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -95.34 -26.19 16.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.448 -0.342 . . . . 75.23 111.248 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.567 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.6 t -110.54 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 65.2 110.124 -175.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.13 129.68 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.892 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.5 m -99.78 149.04 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 73.33 110.93 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -98.3 -50.37 4.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.092 -0.504 . . . . 64.2 110.326 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 104' ' ' VAL . 22.8 tptm -158.74 138.38 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.527 -0.761 . . . . 72.44 110.158 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.443 ' O ' ' HE2' ' A' ' 103' ' ' LYS . 8.3 p -101.48 129.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.278 -0.638 . . . . 63.52 109.278 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -120.81 134.68 55.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.566 -0.531 . . . . 74.04 109.566 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -121.15 158.38 23.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.041 -0.355 . . . . 72.12 110.041 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 88.6 m-70 -139.84 154.54 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 63.51 110.813 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.22 5.99 24.37 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.753 -1.112 . . . . 71.54 113.559 -168.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.9 m -59.73 134.42 57.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.15 0.5 . . . . 75.32 111.938 -167.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 m -71.77 178.16 3.79 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.003 -0.999 . . . . 61.2 112.164 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -47.0 138.75 6.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.587 -0.733 . . . . 70.34 112.664 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.2 176.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.868 -1.06 . . . . 51.15 109.293 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -86.49 120.82 28.23 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.022 -0.362 . . . . 74.32 110.022 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.26 141.13 55.13 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.978 0.418 . . . . 61.52 111.152 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -124.14 -45.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 74.33 111.387 -175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.76 139.3 3.36 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.73 -0.748 . . . . 52.42 113.015 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.418 ' HA ' ' H ' ' A' ' 66' ' ' VAL . 14.8 m-85 -93.15 112.22 24.1 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.529 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 14.7 pt-20 -162.5 142.8 9.77 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.23 0.538 . . . . 71.34 110.938 175.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.693 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.4 mp -75.4 86.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.929 0.871 . . . . 71.13 108.753 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.621 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 44.3 mtt85 -72.39 135.9 45.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.347 -1.297 . . . . 61.44 110.752 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.656 -0.868 . . . . 75.33 108.656 178.531 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.755 0.312 . . . . 72.33 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.33 128.85 50.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 63.04 110.757 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.28 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.494 0.664 . . . . 73.32 109.486 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -79.69 73.59 6.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.679 -0.691 . . . . 74.33 110.613 -175.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 55.95 31.74 18.49 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.447 -0.797 . . . . 72.12 111.338 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -147.22 159.86 43.14 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.828 -0.624 . . . . 74.41 110.437 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -164.2 177.66 8.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.519 -0.764 . . . . 74.24 109.354 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -72.04 100.73 2.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.342 . . . . 71.51 110.429 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.6 tpt -75.98 82.44 2.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.928 -0.578 . . . . 63.23 109.935 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.5 162.69 13.21 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.734 -0.666 . . . . 74.43 112.21 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 t -159.69 169.14 24.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.635 0.255 . . . . 73.24 110.577 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -115.92 173.49 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.251 -0.431 . . . . 73.43 110.417 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.51 156.55 35.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.536 . . . . 62.32 109.881 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.78 138.8 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.182 -0.463 . . . . 75.13 109.86 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.19 94.44 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.406 0.622 . . . . 73.33 109.745 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.5 p -76.62 87.55 3.3 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.102 -0.954 . . . . 72.31 110.406 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -101.91 118.58 37.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.706 -0.679 . . . . 71.34 109.38 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.57 148.1 18.0 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 116.218 -0.446 . . . . 71.43 112.692 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.56 0.21 9.52 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.101 2.534 . . . . 74.15 112.07 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.77 92.53 0.54 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.972 -0.558 . . . . 74.25 111.803 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.5 t -144.76 78.36 1.56 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 73.15 109.486 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.2 mmt -90.78 110.77 21.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 73.31 109.907 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -131.22 142.42 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.014 -0.365 . . . . 74.11 110.014 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.47 -164.79 13.48 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.315 -0.469 . . . . 71.41 112.153 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.0 t -174.42 173.32 2.99 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.274 -0.269 . . . . 60.0 110.274 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.463 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 26.0 ptm -119.55 140.2 28.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 62.34 110.195 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' MET . 1.5 Cg_endo -85.16 170.01 9.75 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.165 2.576 . . . . 74.34 111.791 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.1 t -120.25 -169.87 1.87 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.255 -0.43 . . . . 70.24 110.014 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 t -151.38 174.6 13.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.052 -0.722 . . . . 73.11 109.052 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -150.76 168.25 24.98 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.808 0.337 . . . . 75.4 110.658 -177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -101.48 136.19 41.74 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.773 -0.648 . . . . 62.5 110.598 -176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.96 -24.62 52.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.21 109.901 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.29 134.39 27.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.427 -0.806 . . . . 64.33 110.583 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -125.84 155.42 41.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 71.11 109.595 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.0 m -147.54 129.2 15.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.596 0.236 . . . . 74.11 111.042 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 78' ' ' VAL . 4.6 mp -147.6 150.62 34.79 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 109.25 -0.648 . . . . 70.33 109.25 174.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 109' ' ' SER . 70.0 m -92.41 141.65 28.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.721 0.295 . . . . 71.23 110.514 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.443 ' OH ' ' HB ' ' A' ' 89' ' ' VAL . 4.6 m-85 -112.94 139.97 48.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 74.21 110.682 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -150.09 113.17 4.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.74 -0.664 . . . . 74.33 109.697 172.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' HD11 ' A' ' 92' ' ' LEU . 7.6 p -113.36 143.49 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.311 -0.626 . . . . 72.44 109.311 176.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.559 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 27.0 p -107.06 155.17 20.13 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.35 -0.387 . . . . 74.2 110.01 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.29 160.94 13.55 Favored Glycine 0 C--N 1.329 0.142 0 C-N-CA 121.335 -0.46 . . . . 41.4 112.234 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -71.5 -58.18 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.136 -0.69 . . . . 54.14 109.136 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.78 77.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.509 -0.769 . . . . 73.31 109.342 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 45.5 72.02 0.24 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.244 0.545 . . . . 75.34 110.689 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.48 108.57 2.26 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.374 -0.83 . . . . 52.52 113.343 -173.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -71.61 99.47 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.348 0.594 . . . . 73.2 109.698 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.683 ' HB3' HG12 ' A' ' 119' ' ' ILE . 10.8 t80 -75.39 127.17 32.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.087 -0.96 . . . . 63.04 110.042 -176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -61.14 85.51 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.678 0.622 . . . . 70.11 112.678 -177.326 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.658 ' HA ' HD13 ' A' ' 119' ' ' ILE . 3.2 ptp180 -52.39 -37.92 57.66 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.481 -0.781 . . . . 70.43 112.295 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -58.56 -49.71 76.44 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.712 0.292 . . . . 63.52 110.991 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -68.76 -31.65 70.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 73.2 110.54 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 m -60.11 -52.86 63.56 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.912 0.387 . . . . 73.23 110.521 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 117' ' ' PHE . 49.7 mtpt -64.78 -40.2 94.86 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.896 -0.593 . . . . 52.34 110.2 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -58.77 -52.06 67.31 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.935 -0.575 . . . . 65.33 111.04 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.25 -53.71 48.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.808 -0.633 . . . . 63.1 110.418 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.85 -40.49 84.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.651 -0.704 . . . . 74.43 110.839 -177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.89 -36.5 78.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 61.14 110.726 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.46 69.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.198 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.05 -4.65 57.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 74.52 111.217 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.1 t 68.52 40.12 1.99 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.835 0.35 . . . . 74.53 111.754 171.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.82 133.89 34.32 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.55 -0.537 . . . . 73.12 109.55 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.7 m -109.49 150.46 12.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.137 -0.69 . . . . 63.31 109.137 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.37 -135.8 5.25 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.764 -0.934 . . . . 63.55 110.764 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' HB2' ' HB3' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -167.14 145.4 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.492 0.646 . . . . 74.34 111.23 179.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' HA ' ' A' ' 117' ' ' PHE . 5.1 t -139.04 146.61 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 115.964 -0.562 . . . . 72.34 110.05 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.566 ' OG1' ' HB2' ' A' ' 120' ' ' ARG . 11.8 t -155.54 161.94 40.78 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 124.054 0.846 . . . . 62.0 109.413 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.835 ' HB2' HG23 ' A' ' 119' ' ' ILE . 3.6 t-20 -108.5 163.35 13.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.062 -0.347 . . . . 73.4 110.062 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.506 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 34.3 m-80 -130.71 141.9 50.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.989 -0.745 . . . . 74.0 108.989 177.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -58.92 -15.93 15.24 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.35 0.595 . . . . 73.5 110.371 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.92 -15.03 61.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.157 -0.928 . . . . 73.01 110.694 177.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.95 28.4 12.09 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.964 -0.562 . . . . 64.4 111.724 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -132.47 130.78 40.94 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.937 0.399 . . . . 74.3 110.902 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 48' ' ' PHE . 24.3 t -101.49 117.68 47.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.094 -0.706 . . . . 61.55 109.094 174.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -127.94 155.51 44.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.927 0.394 . . . . 50.11 111.621 -172.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.28 -166.34 38.28 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.966 -0.561 . . . . 53.55 112.075 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.533 HG22 ' SG ' ' A' ' 37' ' ' CYS . 48.8 t -133.09 139.69 48.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 122.62 0.368 . . . . 74.14 110.236 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 36' ' ' LEU . 9.9 p -115.07 136.4 51.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 109.675 -0.491 . . . . 63.53 109.675 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt-30 -139.69 140.78 36.93 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.395 -0.594 . . . . 75.34 109.395 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.54 -172.06 27.19 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 111.659 -0.576 . . . . 73.2 111.659 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.2 Cg_endo -56.22 126.92 23.94 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.569 2.18 . . . . 73.32 111.971 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HD2' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -46.16 -31.96 2.69 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.883 0.698 . . . . 71.14 112.883 -176.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 6.3 pt-20 -70.42 -42.81 71.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.124 0.488 . . . . 53.44 110.994 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.2 mp0 -74.0 -29.76 62.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.894 -0.41 . . . . 73.41 109.894 177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.44 -39.35 84.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 109.24 -0.652 . . . . 73.43 109.24 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.555 ' O ' HG12 ' A' ' 89' ' ' VAL . 23.3 t70 -64.18 -42.75 96.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.426 -0.807 . . . . 72.04 109.822 174.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.3 67.78 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.294 0.569 . . . . 62.15 110.466 174.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -69.3 -42.57 75.27 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.509 -0.769 . . . . 72.11 111.123 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 86' ' ' ASP . 8.8 p -66.17 -34.86 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 120.712 -0.395 . . . . 71.34 110.136 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 47.4 mmtm -59.67 -44.58 93.55 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.305 -0.628 . . . . 73.32 109.305 172.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -59.97 -44.73 94.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.524 -0.762 . . . . 71.31 110.72 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.418 HD11 ' HB ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.91 -39.35 94.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 60.14 110.33 -177.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -61.84 -25.41 67.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.883 -0.598 . . . . 73.34 111.23 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.08 -30.38 70.88 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.122 0.487 . . . . 75.41 110.228 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.21 -168.65 47.69 Favored Glycine 0 C--N 1.331 0.257 0 CA-C-N 115.596 -0.729 . . . . 31.54 113.039 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m -72.85 148.32 89.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.957 -0.386 . . . . 75.45 109.957 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD3' ' CD2' ' A' ' 49' ' ' PHE . 34.1 Cg_endo -65.29 -52.1 1.25 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.269 1.979 . . . . 63.34 112.739 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -121.14 14.56 11.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.844 0.354 . . . . 75.23 111.353 -176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -123.14 145.85 48.25 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.651 -0.499 . . . . 65.2 109.651 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.76 129.39 39.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.515 -0.311 . . . . 74.34 110.987 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -81.24 149.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.31 175.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.559 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 17.9 ttmm -89.07 -55.06 3.83 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 64.2 109.533 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -167.63 143.95 4.16 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.867 -0.606 . . . . 72.44 110.093 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.48 141.59 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.871 -0.418 . . . . 63.52 109.871 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 m -137.79 137.58 38.34 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.943 -0.392 . . . . 74.04 109.943 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.7 mm -123.39 156.42 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.278 -0.638 . . . . 72.12 109.278 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 5.7 t60 -135.62 145.3 46.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.012 0.434 . . . . 63.51 111.004 -177.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.43 6.16 1.95 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.353 1.242 . . . . 71.54 114.353 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.676 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 56.8 m -59.28 146.34 39.78 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.412 0.625 . . . . 75.32 112.396 -166.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.0 p -82.41 178.41 8.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.737 -1.12 . . . . 61.2 112.37 -171.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.93 140.21 31.54 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.306 -0.861 . . . . 70.34 112.381 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -137.6 176.21 7.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.321 -0.854 . . . . 51.15 109.382 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.7 130.03 34.75 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.994 -0.373 . . . . 74.32 109.994 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.63 165.48 24.64 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.942 -0.572 . . . . 61.52 111.02 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 65' ' ' TYR . 29.3 t70 -147.4 -45.66 0.17 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.909 -174.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' TYR . . . 145.98 137.98 3.15 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.932 -0.652 . . . . 52.42 113.073 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.5 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 31.0 m-85 -87.15 111.93 21.44 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.22 -0.659 . . . . 64.33 109.22 174.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 120' ' ' ARG . 10.7 pt-20 -163.05 132.18 4.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 71.34 110.206 170.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 68' ' ' ASN . 1.6 mp -65.03 87.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.613 0.721 . . . . 71.13 110.233 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.566 ' HB2' ' OG1' ' A' ' 67' ' ' THR . 70.7 mtt180 -84.39 144.83 28.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.549 -1.205 . . . . 61.44 110.405 175.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 . . . . . 0 C--O 1.244 0.786 0 CA-C-N 115.884 -0.598 . . . . 75.33 110.254 178.377 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.9 -0.407 . . . . 72.33 109.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.36 31.97 6.11 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 111.882 0.327 . . . . 63.04 111.882 -174.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -57.67 93.5 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.035 0.445 . . . . 73.32 111.155 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -119.27 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.144 -0.688 . . . . 74.33 109.144 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -79.92 81.23 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 72.12 109.891 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -58.66 118.55 5.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.327 -0.851 . . . . 74.41 110.949 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -121.03 151.58 39.63 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.4 -0.364 . . . . 74.24 110.35 -177.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -110.61 119.93 40.77 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.533 -0.303 . . . . 71.51 110.405 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.516 ' HE2' ' H ' ' A' ' 10' ' ' GLY . 1.8 tpt -164.09 143.53 7.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 63.23 109.824 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' H ' ' HE2' ' A' ' 9' ' ' MET . . . -148.35 75.81 0.26 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.069 -0.586 . . . . 74.43 112.074 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.4 p -64.83 118.46 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.005 -0.368 . . . . 73.24 110.005 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 tp -73.71 99.76 3.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.38 -0.373 . . . . 73.43 110.529 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.86 172.79 14.59 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.82 -0.627 . . . . 62.32 110.528 178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 88.29 0.33 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.367 -0.378 . . . . 75.13 111.841 -175.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -92.19 148.49 22.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.362 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -86.07 180.0 6.86 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.064 176.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.49 -166.93 2.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.615 -0.266 . . . . 71.34 110.36 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.6 -132.01 1.45 Allowed Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.668 -0.573 . . . . 71.43 111.668 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -90.76 -158.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.25 2.633 . . . . 74.15 111.228 177.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.55 163.7 34.71 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 111.677 -0.569 . . . . 74.25 111.677 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 p -79.33 76.34 5.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.266 0.555 . . . . 73.15 110.312 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.6 ttp -86.83 71.23 10.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.783 -0.644 . . . . 73.31 110.648 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -175.89 0.47 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.446 -0.797 . . . . 74.11 109.367 174.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.97 55.26 0.14 Allowed Glycine 0 C--N 1.328 0.113 0 C-N-CA 120.99 -0.624 . . . . 71.41 111.834 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m -72.33 109.03 5.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.808 0.337 . . . . 60.0 110.457 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.444 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 54.3 mtt -132.63 108.68 13.19 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 62.34 110.069 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 26' ' ' MET . 18.0 Cg_endo -58.02 113.08 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.965 2.443 . . . . 74.34 112.148 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -89.33 114.88 26.35 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.974 -0.557 . . . . 70.24 110.672 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 p -58.02 115.2 2.73 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.875 -0.602 . . . . 73.11 110.572 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -143.19 173.53 11.5 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.093 -0.503 . . . . 75.4 111.105 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.37 138.93 44.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.664 -0.698 . . . . 62.5 111.727 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -70.02 -31.6 69.34 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.256 0.55 . . . . 74.21 109.855 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -114.85 99.75 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.939 -0.763 . . . . 64.33 108.939 174.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.3 m -104.1 122.14 44.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.334 -0.848 . . . . 71.11 109.94 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.559 HG23 ' HG2' ' A' ' 79' ' ' GLN . 88.6 m -109.98 123.07 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.895 -0.409 . . . . 74.11 109.895 175.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.2 mt -137.53 135.8 37.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.639 -0.504 . . . . 70.33 109.639 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 107' ' ' HIS . 52.5 t -87.53 137.38 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.547 -0.538 . . . . 71.23 109.547 177.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -111.82 146.56 37.44 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.888 0.375 . . . . 74.21 110.003 -177.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -152.05 110.88 3.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 109.475 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -117.54 143.19 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.767 -0.457 . . . . 72.44 109.767 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 102' ' ' LYS . 20.2 p -100.14 117.12 33.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.611 0.243 . . . . 74.2 110.546 179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.809 ' HA3' ' HA2' ' A' ' 46' ' ' GLY . . . -88.16 103.43 2.93 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.025 -0.83 . . . . 41.4 111.025 177.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -50.37 -47.75 56.05 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 122.588 0.355 . . . . 54.14 111.385 -172.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.85 85.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.428 -0.351 . . . . 73.31 110.567 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 59.77 17.89 6.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.845 -0.616 . . . . 75.34 111.756 172.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.809 ' HA2' ' HA3' ' A' ' 42' ' ' GLY . . . 75.69 -74.01 1.6 Allowed Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.868 -0.682 . . . . 52.52 112.598 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 t 49.48 44.96 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.497 0.665 . . . . 73.2 110.352 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.499 ' HD2' HD11 ' A' ' 119' ' ' ILE . 24.5 t80 -78.95 137.79 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 63.04 110.258 -176.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.38 90.52 2.67 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.899 0.703 . . . . 70.11 112.899 -175.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' HB2' HG12 ' A' ' 119' ' ' ILE . 13.7 ttm180 -57.09 -54.34 47.85 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.485 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.92 -51.29 58.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 63.52 111.301 -178.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -65.54 -40.2 92.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 73.2 111.156 -175.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -60.53 -47.25 86.98 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.787 0.327 . . . . 73.23 111.306 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -63.8 -43.45 96.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.189 -0.46 . . . . 52.34 110.267 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -60.56 -47.13 87.56 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.135 -0.484 . . . . 65.33 110.539 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.57 -56.01 27.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.56 -0.745 . . . . 63.1 110.506 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.56 70.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 74.43 110.51 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.75 -35.52 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 61.14 111.026 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.47 -40.81 66.68 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.127 -0.488 . . . . 73.43 111.788 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 84' ' ' GLN . 59.0 mt -101.5 5.26 41.81 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.99 0.367 . . . . 74.52 111.99 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m 68.39 32.6 4.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.047 0.539 . . . . 74.53 112.225 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.72 133.65 35.37 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.5 -0.926 . . . . 73.12 108.5 170.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 79' ' ' GLN . 30.3 m -115.06 163.16 12.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.499 -0.556 . . . . 63.31 109.499 176.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 77' ' ' VAL . . . 146.04 -141.52 9.73 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.15 -0.78 . . . . 63.55 111.15 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.49 152.67 22.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.914 0.357 . . . . 74.34 110.601 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.6 t -134.76 142.0 41.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 109.507 -0.553 . . . . 72.34 109.507 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 14.9 t -153.44 161.97 41.74 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.913 0.758 . . . . 62.0 110.282 -177.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 3.2 t-20 -119.37 156.44 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.259 -0.645 . . . . 73.4 109.259 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 55.6 m-80 -132.74 167.04 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.961 0.41 . . . . 74.0 110.821 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -54.99 -26.08 34.34 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.317 -0.856 . . . . 73.5 112.39 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.91 -12.46 59.51 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.272 -0.422 . . . . 73.01 111.638 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.64 5.92 81.02 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.06 -0.816 . . . . 64.4 111.06 -174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.403 ' HB3' HG22 ' A' ' 41' ' ' THR . 15.6 p -95.65 135.99 36.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.049 0.452 . . . . 74.3 110.593 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 48' ' ' PHE . 59.2 t -101.11 118.1 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 61.55 109.25 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -117.94 170.78 8.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.343 -0.389 . . . . 50.11 109.994 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 166.7 -165.19 38.27 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.587 -0.605 . . . . 53.55 111.587 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 60.6 t -140.66 136.15 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.019 0.409 . . . . 74.14 110.269 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 70.3 t -113.48 135.07 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.285 -0.635 . . . . 63.53 109.285 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' A' ' 35' ' ' THR . 2.0 mt-30 -137.04 127.34 26.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.711 -0.848 . . . . 75.34 108.711 -176.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 155.02 -163.42 31.39 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.408 -0.901 . . . . 73.2 112.862 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 15.5 Cg_endo -57.0 129.84 36.62 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 123.101 2.534 . . . . 73.32 112.102 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -48.58 -35.55 13.69 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 71.14 112.148 -175.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 7.4 pt-20 -70.35 -43.96 69.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.841 0.312 . . . . 53.44 111.841 -176.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 2.3 mp0 -72.7 -33.05 66.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.494 0.188 . . . . 73.41 110.636 177.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 95.5 t -61.71 -45.24 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 108.996 -0.742 . . . . 73.43 108.996 172.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.61 -46.04 81.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.259 -0.882 . . . . 72.04 109.369 175.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.78 85.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.089 -0.96 . . . . 62.15 111.014 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -67.41 -35.83 80.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 72.11 109.894 -178.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.0 t -62.77 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.192 174.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -66.1 -29.61 69.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.862 -0.608 . . . . 73.32 110.528 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.75 -41.95 64.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.613 -0.721 . . . . 71.31 110.135 173.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -37.87 88.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 60.14 109.544 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -70.48 -4.66 23.84 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.453 -0.794 . . . . 73.34 111.796 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -73.4 -34.57 65.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.522 -0.547 . . . . 75.41 109.522 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.7 170.97 46.41 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.6 -0.727 . . . . 31.54 112.721 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.426 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 19.9 m -60.0 147.88 78.8 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 122.403 0.281 . . . . 75.45 110.449 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.2 -50.57 13.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.703 2.269 . . . . 63.34 112.966 -173.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -113.33 -2.14 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 75.23 111.492 -174.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB3' ' HB2' ' A' ' 96' ' ' SER . 22.7 t -119.79 141.57 49.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.985 -0.376 . . . . 65.2 109.985 -176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.43 137.79 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 74.34 110.449 -177.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 m -91.08 142.29 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 120.881 0.372 . . . . 73.33 110.136 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' HB3' ' OG1' ' A' ' 41' ' ' THR . 23.6 tptm -91.05 -53.67 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 64.2 110.719 -178.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -147.94 131.65 16.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.361 -0.381 . . . . 72.44 110.802 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.4 129.09 58.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 109.39 -0.596 . . . . 63.52 109.39 173.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.1 m -129.83 124.5 33.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.946 -0.39 . . . . 74.04 109.946 -173.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.9 mm -111.97 148.33 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 72.12 109.658 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 44.7 t-80 -132.94 151.75 52.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.208 0.527 . . . . 63.51 110.946 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.39 7.07 0.86 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.789 1.236 . . . . 71.54 114.188 -173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.0 m -59.27 141.48 54.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.251 0.548 . . . . 75.32 112.431 -162.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.9 m -74.42 174.77 8.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.042 -0.981 . . . . 61.2 112.109 -172.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -55.96 136.61 51.76 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.343 -0.844 . . . . 70.34 111.48 -176.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.48 176.06 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.066 -0.516 . . . . 51.15 110.564 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -73.04 125.44 27.66 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.557 -0.534 . . . . 74.32 109.557 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.415 ' HB1' ' H ' ' A' ' 64' ' ' GLY . . . -97.72 -167.96 1.6 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.104 0.478 . . . . 61.52 112.131 -174.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 73.12 44.88 0.31 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.024 -0.989 . . . . 74.33 110.953 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.16 37.21 1.96 Allowed Glycine 0 CA--C 1.508 -0.382 0 CA-C-N 115.574 -0.739 . . . . 52.42 112.771 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -72.94 112.4 8.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.071 -0.565 . . . . 64.33 110.762 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -162.5 169.38 20.42 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.768 0.318 . . . . 71.34 110.179 173.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.541 HG12 ' HB2' ' A' ' 50' ' ' ARG . 40.7 mm -103.55 85.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.014 -1.106 . . . . 71.13 108.014 167.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.533 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 28.1 ttt180 -80.69 111.89 17.55 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 114.219 -1.355 . . . . 61.44 110.748 -174.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.323 -0.846 . . . . 75.33 109.379 176.112 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.864 -0.421 . . . . 72.33 109.864 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.09 18.5 1.04 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.865 0.364 . . . . 63.04 111.66 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -126.96 105.97 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 73.32 109.753 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -75.73 76.44 2.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.258 0.551 . . . . 74.33 110.224 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -87.57 106.54 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.477 -0.783 . . . . 72.12 110.209 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -84.71 146.89 27.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 74.41 109.725 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -80.73 58.24 3.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.106 0.479 . . . . 74.24 110.234 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -85.55 71.14 10.79 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.81 0.814 . . . . 71.51 110.128 178.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.5 tpt -175.69 103.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.537 -1.21 . . . . 63.23 108.667 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -121.59 -168.6 13.44 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.181 -0.533 . . . . 74.43 112.248 -175.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -80.93 155.07 26.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.841 0.353 . . . . 73.24 110.555 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 13' ' ' GLU . 2.2 pp -70.65 -11.77 61.14 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.987 -0.551 . . . . 73.43 112.477 -175.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 12' ' ' LEU . 9.8 pt-20 -92.82 100.39 12.88 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.035 0.445 . . . . 62.32 111.178 -176.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.4 81.83 7.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 75.13 110.4 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -99.74 164.11 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 73.33 110.777 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m 68.93 -4.22 1.28 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.933 -0.576 . . . . 72.31 112.402 173.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -64.49 139.06 58.73 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.783 0.325 . . . . 71.34 110.879 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.18 161.8 19.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.223 -0.513 . . . . 71.43 112.068 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -95.42 -166.62 0.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.734 2.956 . . . . 74.15 112.022 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.72 -72.83 0.43 Allowed Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.331 -0.707 . . . . 74.25 111.331 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -71.33 88.04 0.86 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.123 0.487 . . . . 73.15 109.901 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.3 mtp -73.69 82.12 1.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 73.31 110.48 -176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.54 66.41 9.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.454 0.645 . . . . 74.11 110.387 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.72 -137.32 3.24 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.806 -0.633 . . . . 71.41 112.373 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -142.73 157.44 44.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.242 -0.281 . . . . 60.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.4 mtm -85.08 155.1 60.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 62.34 109.891 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.65 -179.48 3.34 Favored 'Trans proline' 0 C--O 1.238 0.52 0 C-N-CA 122.449 2.099 . . . . 74.34 112.266 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.9 m -52.9 139.73 26.51 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.146 -0.479 . . . . 70.24 110.792 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.9 m -56.6 94.28 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.327 0.584 . . . . 73.11 110.97 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 p -112.17 -3.13 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.552 -0.749 . . . . 75.4 110.734 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -128.8 61.51 1.5 Allowed 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.134 -0.691 . . . . 62.5 109.134 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.98 -31.74 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 74.21 110.279 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t -98.77 94.72 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.656 0.741 . . . . 64.33 109.479 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -81.55 134.09 35.46 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.937 -1.029 . . . . 71.11 110.113 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.413 HG23 ' HG2' ' A' ' 79' ' ' GLN . 87.3 m -125.55 130.15 51.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 74.11 110.246 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.6 mt -142.3 137.05 30.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 70.33 109.277 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 107' ' ' HIS . 38.9 t -86.14 136.36 33.24 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.794 -0.447 . . . . 71.23 109.794 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -111.54 139.34 47.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.099 0.476 . . . . 74.21 110.644 -176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -151.5 111.03 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.473 -0.785 . . . . 74.33 109.567 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.73 139.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.984 -0.747 . . . . 72.44 108.984 175.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 p -91.33 128.26 37.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.782 -0.644 . . . . 74.2 110.646 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.1 122.28 7.51 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 116.034 -0.53 . . . . 41.4 111.846 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -64.06 -44.11 93.44 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.22 -1.03 . . . . 54.14 108.22 174.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.557 HG22 ' H ' ' A' ' 45' ' ' GLN . 11.6 p -122.91 178.12 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.469 -1.241 . . . . 73.31 107.972 174.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.557 ' H ' HG22 ' A' ' 44' ' ' VAL . 85.0 mm-40 -54.58 90.72 0.01 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.544 -0.539 . . . . 75.34 109.544 172.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.26 107.86 1.4 Allowed Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.584 -0.734 . . . . 52.52 113.094 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 t -77.26 72.86 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 108.909 -0.774 . . . . 73.2 108.909 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.506 ' HD2' HD11 ' A' ' 119' ' ' ILE . 19.0 t80 -72.33 132.66 44.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.964 -1.017 . . . . 63.04 109.371 -177.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 82.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.271 0.471 . . . . 70.11 112.271 -175.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HG3' ' HA ' ' A' ' 118' ' ' GLU . 19.8 ttm180 -52.49 -45.32 66.14 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.884 -0.598 . . . . 70.43 110.772 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -57.41 -46.39 83.54 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.528 -0.76 . . . . 63.52 111.074 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.575 . . . . 73.2 110.546 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 m -61.71 -37.43 84.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.158 0.504 . . . . 73.23 110.261 178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -46.9 78.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.598 -0.728 . . . . 52.34 109.858 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.38 -52.25 66.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.828 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -57.41 11.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.555 -0.748 . . . . 63.1 110.278 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' ' HE1' ' A' ' 88' ' ' PHE . . . -60.31 -47.41 86.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.373 -0.83 . . . . 74.43 111.242 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.78 -45.78 92.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.831 0.348 . . . . 61.14 110.804 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.61 -45.88 70.76 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.006 -0.543 . . . . 73.43 111.505 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HB3' ' HG3' ' A' ' 84' ' ' GLN . 75.0 mt -79.41 -9.75 59.66 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.039 0.447 . . . . 74.52 110.683 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 68.19 42.03 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.309 -0.86 . . . . 74.53 111.932 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.78 133.46 35.64 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.685 -1.228 . . . . 73.12 107.685 165.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 79' ' ' GLN . 34.4 m -114.98 172.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.121 -0.326 . . . . 63.31 110.121 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.69 -135.1 8.09 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.467 -1.053 . . . . 63.55 110.467 -175.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.461 ' HB2' ' H ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -167.23 152.19 7.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.315 0.558 . . . . 74.34 111.192 178.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.5 t -138.87 143.13 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.291 -0.413 . . . . 72.34 110.23 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 120' ' ' ARG . 11.1 t -151.31 162.21 41.32 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.169 0.918 . . . . 62.0 110.293 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -105.46 123.77 48.44 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.602 -0.518 . . . . 73.4 109.602 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.492 ' N ' HD22 ' A' ' 68' ' ' ASN . 43.6 m-80 -76.72 150.04 36.31 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.983 -0.377 . . . . 74.0 109.983 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.16 -28.37 64.67 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.453 0.471 . . . . 73.5 112.052 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.11 -19.67 61.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.662 0.268 . . . . 73.01 110.664 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.26 -33.6 3.61 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 121.12 -0.562 . . . . 64.4 112.837 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -64.91 145.32 56.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.732 0.301 . . . . 74.3 111.695 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.67 138.46 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.936 -0.764 . . . . 61.55 108.936 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -143.36 166.64 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.877 0.37 . . . . 50.11 111.144 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.03 -166.15 38.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.497 -0.641 . . . . 53.55 111.497 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.0 t -137.18 141.59 39.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 116.958 0.379 . . . . 74.14 110.017 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -118.29 143.34 29.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 123.622 0.576 . . . . 63.53 110.0 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 35' ' ' THR . 1.2 mt-30 -143.07 140.91 31.12 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.154 -0.684 . . . . 75.34 109.154 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 150.47 -166.1 30.1 Favored Glycine 0 CA--C 1.516 0.103 0 C-N-CA 120.656 -0.783 . . . . 73.2 112.627 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HG2' ' HB2' ' A' ' 84' ' ' GLN . 12.7 Cg_endo -56.53 138.59 85.05 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.032 2.488 . . . . 73.32 111.413 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HD2' ' OE2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -68.19 -23.83 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 71.14 110.76 -169.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 82' ' ' LYS . 1.9 pm0 -70.23 -40.58 74.39 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.289 0.566 . . . . 53.44 110.354 176.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.552 ' HB2' ' HG2' ' A' ' 81' ' ' PRO . 1.8 mp0 -73.88 -32.15 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.657 -0.702 . . . . 73.41 110.285 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 81' ' ' PRO . 95.9 t -66.03 -39.75 85.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.717 -0.475 . . . . 73.43 109.717 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.21 -40.73 97.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.919 -0.582 . . . . 72.04 109.556 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.49 95.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.575 -0.739 . . . . 62.15 110.578 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' HE1' ' HB2' ' A' ' 57' ' ' ALA . 13.3 t80 -69.74 -47.11 64.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.737 -0.665 . . . . 72.11 110.517 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.33 -40.36 88.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.171 0.51 . . . . 71.34 110.398 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.57 -47.58 84.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.743 -0.662 . . . . 73.32 109.672 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -58.46 -41.85 86.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.047 -0.979 . . . . 71.31 110.8 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -34.28 76.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.926 -0.579 . . . . 60.14 110.271 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -61.04 -20.67 62.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.416 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -60.41 -42.73 96.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.109 -0.496 . . . . 75.41 110.012 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.23 -148.8 19.51 Favored Glycine 0 C--O 1.229 -0.197 0 CA-C-N 116.059 -0.519 . . . . 31.54 111.927 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 49.2 m -134.35 136.21 25.42 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 117.007 0.404 . . . . 75.45 110.729 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' SER . 2.9 Cg_exo -76.79 -36.06 1.69 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.646 2.23 . . . . 63.34 112.764 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -87.19 -16.57 34.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 75.23 111.641 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.6 m -137.72 147.94 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.694 0.283 . . . . 65.2 110.896 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.87 113.24 25.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 116.076 -0.511 . . . . 74.34 110.923 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -85.55 139.27 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.324 -0.621 . . . . 73.33 109.324 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.664 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -88.58 -45.88 9.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.532 -0.304 . . . . 64.2 110.843 -178.233 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -167.66 138.85 2.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.74 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.57 140.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.492 -0.558 . . . . 63.52 109.492 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.8 m -138.1 134.78 35.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 110.115 -0.328 . . . . 74.04 110.115 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 mm -120.37 149.01 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.284 -0.636 . . . . 72.12 109.284 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 29.2 m170 -129.42 154.12 47.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.038 0.447 . . . . 63.51 110.798 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.79 6.08 2.19 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.558 1.143 . . . . 71.54 113.994 -171.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.7 m -59.76 130.29 46.08 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.415 0.626 . . . . 75.32 111.738 -168.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 p -82.39 178.43 8.24 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.974 -1.012 . . . . 61.2 112.303 -171.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -42.89 125.52 3.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 114.835 -1.075 . . . . 70.34 112.978 -172.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.68 176.25 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.633 -0.712 . . . . 51.15 110.23 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.91 133.04 33.97 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.503 -0.555 . . . . 74.32 109.503 173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.61 146.57 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.063 0.394 . . . . 61.52 112.063 -175.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 65' ' ' TYR . 10.4 m-20 -120.24 -53.54 2.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.023 -0.535 . . . . 74.33 110.429 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.461 ' H ' ' HB2' ' A' ' 65' ' ' TYR . . . 151.36 149.57 5.1 Favored Glycine 0 C--O 1.238 0.355 0 C-N-CA 121.176 -0.535 . . . . 52.42 112.528 -177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -92.66 112.52 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.808 -0.441 . . . . 64.33 109.808 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.45 ' HA ' ' HG3' ' A' ' 50' ' ' ARG . 13.9 pt-20 -158.93 126.59 4.97 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-O 120.744 0.307 . . . . 71.34 110.343 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.506 HD11 ' HD2' ' A' ' 48' ' ' PHE . 38.3 mm -66.95 85.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.187 -0.672 . . . . 71.13 109.187 177.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.473 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 33.6 ttt180 -89.86 124.89 35.08 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.734 -1.121 . . . . 61.44 110.274 -175.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.697 -0.668 . . . . 75.33 109.601 177.095 . . . . . . . . 0 0 . 1 stop_ save_