data_2kkh_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 2kkh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -83.72 138.33 33.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.142 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -134.09 149.87 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.89 133.77 51.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.1 m-85 -119.79 135.71 54.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.105 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -98.48 108.09 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.114 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.49 93.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 26' ' ' ILE . 3.9 mm? -72.52 -36.63 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.43 22.24 1.36 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' H ' ' C ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -89.71 123.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' CYS . 23.3 p -134.32 159.7 40.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.179 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 44.92 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -121.23 -4.65 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -73.67 -15.42 61.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.624 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -85.26 -4.89 59.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -48.85 -56.76 13.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.7 Cg_endo -54.2 -41.62 74.37 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.334 2.023 . . . . 0.0 112.122 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.436 HG22 HD12 ' A' ' 34' ' ' ILE . 96.7 mt -64.22 -43.55 97.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.406 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.0 -44.3 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.07 -32.48 73.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.35 -39.15 92.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.536 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' O ' ' OG ' ' A' ' 41' ' ' SER . 94.1 mt -62.66 -45.17 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.292 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.81 -38.77 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.0 110.466 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.09 -39.59 82.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.327 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 95.9 p -61.04 -33.03 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.495 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.83 146.05 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 62.1 t0 -102.81 144.14 31.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.525 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 103.15 -19.43 46.2 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -66.88 133.18 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.539 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -96.42 -54.61 3.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -155.8 159.69 39.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.488 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.83 161.58 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 t -148.47 140.7 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.372 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.63 117.72 47.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.82 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 110.004 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.679 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -74.47 -35.34 2.16 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.804 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.7 Cg_exo -54.6 -35.86 87.59 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.101 1.867 . . . . 0.0 112.019 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -111.25 1.88 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.769 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 54.74 52.7 11.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -140.63 145.46 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -127.25 130.17 70.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 pp -122.5 137.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.046 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -147.36 138.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -110.39 126.08 67.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -151.9 163.18 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.04 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -86.94 120.14 27.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -57.18 -35.92 70.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.548 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 10.4 mp -63.56 -48.09 78.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.74 -44.52 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 tt -150.15 135.61 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.549 ' HG ' ' H ' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -92.15 162.84 29.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.21 -32.59 93.99 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.511 2.141 . . . . 0.0 112.036 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.549 ' H ' ' HG ' ' A' ' 67' ' ' SER . 90.2 m-85 -58.54 -39.73 80.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.693 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.31 -43.4 98.91 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.404 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.74 -44.38 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.38 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.16 93.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -63.5 -39.37 94.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.16 95.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.29 -36.76 83.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.655 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -60.94 -37.46 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -53.16 -44.59 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.729 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -145.85 141.89 28.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.303 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.911 0.386 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.95 131.81 35.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.813 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -139.19 148.6 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.216 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -109.26 128.31 54.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.074 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.7 m-85 -112.34 105.0 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 99.5 m-20 -72.2 138.67 47.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.274 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 m -128.29 129.48 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.406 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -108.82 -18.96 13.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.428 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.91 36.71 3.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 tt -86.05 122.99 39.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.357 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.7 t -100.63 130.09 46.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.5 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.5 p 39.77 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.63 -1.53 9.0 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.161 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.468 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 99.5 p -76.23 -7.59 55.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.464 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.88 5.47 36.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -53.62 -57.0 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.0 Cg_endo -57.4 -32.35 93.74 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.173 1.916 . . . . 0.0 112.233 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.17 -42.8 88.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.392 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.83 -44.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.333 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 110.608 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.76 -38.22 89.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.468 ' O ' ' OG ' ' A' ' 41' ' ' SER . 95.6 mt -62.99 -44.19 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.52 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.07 -36.25 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.988 0.423 . . . . 0.0 110.38 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.41 -39.05 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.355 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 82.6 p -64.9 -33.6 76.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.63 141.1 48.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -104.52 108.47 19.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.97 -13.68 1.92 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.5 m -80.04 127.12 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 110.647 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -93.19 -47.98 6.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.546 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.71 156.14 34.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -157.33 163.17 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.718 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -149.7 144.71 26.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.283 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.96 122.84 61.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.052 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 54' ' ' SER . 60.1 mt -118.83 99.67 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.628 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.18 -40.34 3.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.697 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 48.7 Cg_exo -54.45 -38.83 89.68 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.599 2.199 . . . . 0.0 112.286 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 51' ' ' ILE . 61.2 m -100.7 -4.45 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.61 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 53.75 46.4 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.1 m -133.85 148.98 51.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.7 t -120.4 133.29 67.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.942 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -125.43 130.04 72.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.345 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -145.95 132.38 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.01 124.99 58.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -149.88 163.74 37.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -81.81 116.74 21.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.868 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -57.61 -39.82 77.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.54 -52.24 61.98 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.016 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.23 -45.61 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.6 tt -144.08 136.52 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.81 163.06 21.04 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.8 -33.47 81.19 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.576 2.184 . . . . 0.0 111.991 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -56.19 -43.45 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.721 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -61.87 -42.85 99.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 71' ' ' ILE . 97.6 mt -64.7 -44.22 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.79 -40.39 95.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.467 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.24 98.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.571 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.66 -35.08 79.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.594 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.16 -37.2 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.619 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -53.94 -38.31 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -148.77 152.9 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.657 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.424 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 54.3 mtmt -78.42 138.74 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 20' ' ' TYR . 7.7 t -143.37 142.13 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.301 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.404 ' N ' ' HG ' ' A' ' 19' ' ' SER . 90.5 m-85 -108.79 127.25 53.85 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.359 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -112.46 123.12 49.59 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.06 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -94.08 111.18 22.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.83 128.02 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.45 -22.66 16.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 33.72 2.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 tp -89.49 130.33 38.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 t -129.72 131.15 46.22 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 40.56 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.812 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -1.88 15.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.296 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -73.12 -12.41 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -92.21 7.26 43.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.2 179.429 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.604 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 48.3 t -64.63 -39.94 44.76 Favored Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 39.0 Cg_exo -60.63 -43.25 33.66 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.636 2.224 . . . . 0.0 111.973 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.26 -43.67 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.707 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.52 -45.01 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.427 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.39 -33.69 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 0.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.99 -37.89 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' A' ' 41' ' ' SER . 5.3 mm -62.99 -44.48 99.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.45 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.17 -38.43 91.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.809 0.337 . . . . 0.0 110.351 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -57.46 -40.61 78.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 96.7 p -60.83 -34.05 73.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.499 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.21 145.41 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -105.57 110.69 23.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.74 -17.68 2.4 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.1 m -74.22 130.17 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.445 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -97.1 -47.19 5.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.33 158.74 36.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.71 160.39 36.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -144.62 131.6 20.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.131 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.51 115.76 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG23 ' H ' ' A' ' 54' ' ' SER . 63.6 mt -113.98 99.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.011 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.74 -39.76 3.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 50.4 Cg_exo -54.63 -35.91 88.05 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.437 2.092 . . . . 0.0 112.256 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.409 ' H ' HG23 ' A' ' 51' ' ' ILE . 8.8 m -103.57 -3.28 25.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.62 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 53.56 41.17 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.916 0.388 . . . . 0.0 110.693 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.7 m -129.57 140.99 51.06 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -117.33 130.59 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.7 130.32 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.82 133.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.381 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.2 t -105.04 127.68 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.77 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -153.87 163.01 40.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.45 118.95 22.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.017 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -58.62 -43.32 89.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 tt -61.91 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.592 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.34 -46.09 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.088 0.471 . . . . 0.0 110.647 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -144.41 139.13 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.179 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 162.61 20.42 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.798 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.45 -33.15 84.98 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.365 2.044 . . . . 0.0 112.235 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.55 -38.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.775 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -42.42 93.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 71' ' ' ILE . 97.0 mt -64.42 -44.13 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.51 96.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -39.39 94.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.423 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.85 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.83 -34.62 78.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -61.28 -35.79 78.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.98 -38.69 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.395 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.69 169.25 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.5 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 . . . . . 0 C--O 1.232 0.161 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.81 136.74 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.171 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -137.08 152.93 50.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.05 124.68 49.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.015 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -112.16 120.39 41.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -89.63 114.34 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.386 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.08 126.75 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.068 0.461 . . . . 0.0 110.239 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 26' ' ' ILE . 5.9 tp -107.11 -32.14 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.597 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.24 37.87 1.79 Allowed Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.7 tp -83.61 127.19 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.196 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' CYS . 8.2 t -113.41 132.08 55.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.193 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 27' ' ' CYS . 13.4 p 36.59 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 111.024 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 48.4 p -126.08 0.56 7.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -76.07 -6.42 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.57 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -84.99 1.59 46.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.253 -179.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.477 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.8 t -43.96 -57.26 6.29 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 27.5 Cg_endo -58.59 -37.29 95.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.162 1.908 . . . . 0.0 111.812 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.29 -44.52 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.414 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -33.13 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.605 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.78 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.484 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.61 -38.44 89.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.37 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.97 -39.0 77.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.281 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -62.07 -38.29 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.34 144.34 51.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 51.0 p-10 -100.97 145.94 28.03 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.285 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.19 -21.38 37.79 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.7 m -70.39 131.24 34.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.94 0.4 . . . . 0.0 110.513 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -97.07 -49.84 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -157.22 163.28 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -157.17 162.8 39.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -144.37 137.22 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -111.61 120.55 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.021 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 54' ' ' SER . 63.9 mt -109.97 113.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.939 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.598 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 19.3 t -73.89 -45.7 6.8 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.801 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 39.4 Cg_endo -65.48 -15.21 48.68 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.12 1.88 . . . . 0.0 112.645 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.413 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.2 t -114.75 -1.99 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 43.88 27.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.821 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.5 m -119.98 133.51 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.063 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -109.14 127.79 65.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.38 129.94 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.19 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.98 132.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.69 122.81 56.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -151.72 162.52 40.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -85.65 114.27 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.88 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.7 p -51.88 -31.77 29.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.133 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.33 -53.62 34.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.82 -43.61 88.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -147.8 135.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.93 161.57 43.72 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 -25.35 48.21 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.635 2.223 . . . . 0.0 111.703 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -63.63 -37.26 86.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.36 -41.48 89.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.36 -44.31 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.435 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.493 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -64.63 -37.35 87.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.11 94.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.76 -38.8 92.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.507 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 67.2 m-80 -61.63 -39.04 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.553 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.46 -41.13 84.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.537 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.912 0.387 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 16.3 p30 -145.63 138.85 26.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.512 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.467 179.819 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.912 0.387 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -85.08 136.91 33.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -134.2 152.84 52.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.079 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.7 141.85 44.78 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.135 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 40.1 m-85 -131.6 151.88 51.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.057 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -128.29 113.21 15.35 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.208 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -103.34 103.25 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.21 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 26' ' ' ILE . 55.3 tp -64.97 -40.73 95.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.301 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.21 40.42 0.34 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.522 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.0 tp -89.2 130.74 38.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 110.252 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 7.9 t -128.9 130.83 47.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.794 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' OG ' ' A' ' 30' ' ' SER . 14.4 p 39.36 -160.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.959 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.0 p -113.94 -1.3 13.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.216 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.502 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 61.9 p -76.72 -9.0 58.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.698 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.87 6.87 44.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.08 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.594 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 54.9 t -63.55 -40.55 59.04 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.551 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 38.5 Cg_exo -60.46 -42.93 36.96 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.612 2.208 . . . . 0.0 111.741 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.44 -43.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.428 HD13 HG21 ' A' ' 35' ' ' ILE . 97.2 mt -62.02 -45.0 99.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.256 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.74 -35.75 75.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.895 0.379 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.32 -37.96 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.672 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mm -62.22 -44.65 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.43 -39.59 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -58.35 -38.91 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.44 -40.13 93.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD2' HE22 ' A' ' 70' ' ' GLN . 67.9 mt -70.11 147.67 49.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -108.82 105.7 15.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.61 -18.37 1.0 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 m -79.74 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 0.0 110.489 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.56 -47.7 6.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.44 159.09 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -162.92 163.16 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t -152.59 140.45 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.376 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.55 116.03 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -105.81 101.39 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.624 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -75.69 -40.42 3.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.5 Cg_exo -54.22 -35.36 82.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.536 2.157 . . . . 0.0 112.314 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 t -108.71 4.8 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 46.88 39.1 6.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.682 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.8 m -126.45 156.58 40.42 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.1 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -125.59 135.18 64.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 tt -122.39 130.12 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.291 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.47 135.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -104.62 128.52 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.682 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -156.72 161.48 39.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -82.59 119.39 24.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -59.06 -42.39 90.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.438 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.66 -46.54 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.743 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 tt -142.2 135.44 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.027 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -86.13 153.46 56.93 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.201 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.38 -35.68 85.09 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.376 2.05 . . . . 0.0 112.214 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -58.73 -37.7 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.496 ' C ' ' NE2' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -61.32 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.52 -44.34 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.43 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.3 92.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.774 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.72 97.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.664 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.6 mt -65.28 -38.98 91.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.719 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.22 -27.31 67.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -49.5 -32.14 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.49 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -141.68 131.12 23.76 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.431 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.938 0.399 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 58.8 mttp -81.73 140.26 34.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.114 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.456 ' OG ' ' CE1' ' A' ' 21' ' ' PHE . 3.1 t -141.39 147.34 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.74 135.05 49.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' OG ' ' A' ' 19' ' ' SER . 64.3 m-85 -125.23 130.86 52.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -98.76 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.209 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.44 114.76 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.6 mt -102.22 -9.23 20.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.34 35.3 5.11 Favored Glycine 0 N--CA 1.464 0.539 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -89.85 134.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -131.87 145.44 51.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.408 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 6.9 p 43.67 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.212 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.3 m -129.11 -6.05 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.24 -9.57 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 16.4 pt-20 -90.12 9.48 28.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.591 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 6.6 t -57.21 -42.89 98.47 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.169 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.5 Cg_exo -59.34 -34.88 97.73 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.687 2.258 . . . . 0.0 111.678 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.78 -43.16 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.467 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.88 -47.78 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.467 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -32.1 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -62.98 -39.1 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.62 -44.75 99.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.57 -40.14 96.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.275 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -56.34 -40.31 74.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.71 -40.46 95.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.548 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.0 149.15 51.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -105.11 146.61 28.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 -22.81 34.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 m -70.86 131.0 34.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.469 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -95.67 -49.68 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.06 164.4 35.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -157.28 161.6 39.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -146.34 118.71 8.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.6 t -89.36 121.91 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.5 mt -109.48 102.2 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.73 -40.77 4.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.46 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -54.05 -34.51 77.89 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.54 2.16 . . . . 0.0 112.13 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 t -108.74 2.35 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.502 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 52.16 21.47 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -106.12 139.12 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.65 130.39 67.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.32 129.86 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.51 133.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.462 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.0 t -104.05 123.44 57.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.999 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -153.27 166.07 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.632 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -90.13 120.63 31.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.093 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -56.72 -37.82 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.735 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 4.0 mm? -61.58 -50.92 70.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.922 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.78 -45.02 72.41 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.2 tt -148.6 133.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.608 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.02 162.37 30.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.79 -34.96 92.74 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.577 2.185 . . . . 0.0 112.349 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -56.59 -39.74 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.7 -43.28 97.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.523 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.47 -44.06 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.7 95.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -63.49 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.05 96.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.24 -39.06 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -61.23 -38.9 88.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.521 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.05 -37.75 64.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.627 179.788 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.732 0.301 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -151.74 148.3 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -78.53 136.31 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.023 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 t -141.21 144.45 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.227 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -106.27 136.44 45.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.098 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 27.3 m-85 -122.99 135.83 54.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -108.6 107.42 17.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -98.42 96.62 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 26' ' ' ILE . 56.2 tp -64.05 -41.66 97.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.33 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.47 36.95 0.34 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.548 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.5 tt -89.64 131.61 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.278 . . . . 0.0 110.445 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.9 t -116.59 128.84 55.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 40.13 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.665 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 29' ' ' THR . 55.5 m -111.68 -3.74 14.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.469 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 57.7 p -76.18 -7.34 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.65 8.67 33.16 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.402 0.439 . . . . 0.0 110.176 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 15.7 t -62.49 -41.71 75.17 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.3 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 36.4 Cg_exo -59.08 -44.63 33.17 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.685 2.257 . . . . 0.0 111.836 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.49 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.68 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.46 -44.75 99.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.21 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.54 -33.82 75.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.33 -39.16 89.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.752 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.433 ' O ' ' OG ' ' A' ' 41' ' ' SER . 97.2 mt -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.1 -38.98 93.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.414 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.82 -40.98 85.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 92.2 p -62.65 -32.71 73.81 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.543 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -73.6 146.0 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -103.54 142.85 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.204 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 -16.67 45.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.84 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.361 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -98.2 -53.49 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -153.15 159.26 42.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.762 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -160.89 162.53 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 t -150.58 136.89 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.4 115.56 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.019 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -109.15 100.11 10.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.631 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.34 -39.59 3.18 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.767 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -53.6 -36.25 80.2 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.478 2.119 . . . . 0.0 112.345 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.5 t -106.52 -0.75 23.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 53.38 43.46 31.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.7 m -134.03 147.39 50.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.7 t -120.22 130.52 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.8 tt -116.04 129.7 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.118 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.27 138.22 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.44 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.41 125.84 68.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -153.41 163.52 39.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.608 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -86.06 115.47 23.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -53.9 -20.49 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.612 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.66 -43.31 94.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 tt -145.48 139.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.12 162.19 22.93 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.46 -35.24 96.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.459 2.106 . . . . 0.0 112.273 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.87 -41.24 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.32 -42.39 96.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.37 -44.55 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.38 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.31 -38.3 90.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.08 -40.14 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -60.51 -27.07 67.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.637 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.36 -38.2 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.529 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -132.4 134.38 45.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.096 0.474 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -90.82 139.16 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.262 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.6 m -137.26 149.37 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.075 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -105.51 124.58 49.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.5 m-85 -107.07 118.0 35.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.1 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 59.8 t0 -85.87 104.92 15.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.21 113.67 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.533 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 3.8 mm? -93.45 -10.06 36.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.08 31.79 7.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -87.08 128.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.0 t -113.13 130.85 56.05 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.498 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' OG ' ' A' ' 30' ' ' SER . 13.9 p 39.72 -158.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.588 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -6.29 11.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.248 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.488 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 67.0 p -69.63 -12.62 61.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.75 -4.16 59.09 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -49.28 -56.71 14.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -54.37 -39.73 86.0 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.124 1.883 . . . . 0.0 112.268 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.8 -43.3 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.464 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.48 -44.49 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.277 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.92 -33.87 76.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.937 0.398 . . . . 0.0 110.701 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 37' ' ' ASN . 59.2 t-20 -62.29 -39.25 92.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.426 ' O ' ' OG ' ' A' ' 41' ' ' SER . 5.5 mm -62.99 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.594 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 mp -64.32 -37.76 88.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 0.0 110.14 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.68 -41.14 81.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.505 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 93.8 p -63.17 -33.91 76.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.34 148.31 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 50.8 p30 -104.86 150.3 24.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.32 -21.24 47.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.05 133.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.39 . . . . 0.0 110.333 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -95.0 -54.06 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -157.65 162.81 38.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -158.35 162.49 37.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -146.71 134.53 21.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 t -100.0 116.5 43.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.1 mt -111.72 99.54 8.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.643 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -74.63 -39.41 3.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.576 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 42.8 Cg_exo -56.26 -28.81 73.38 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.444 2.096 . . . . 0.0 112.296 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 55' ' ' ARG . 56.6 p -118.16 16.51 14.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.701 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.4 ptm180 34.4 41.63 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.313 0.383 . . . . 0.0 111.001 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -125.44 136.44 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.25 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.2 t -114.87 131.8 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.9 tt -125.83 131.54 71.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.192 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.66 135.23 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.529 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.53 128.18 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.611 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' ND1' ' O ' ' A' ' 66' ' ' ILE . 14.8 p80 -158.24 161.67 37.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -88.68 118.1 28.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.087 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -53.34 -37.24 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.36 -53.02 61.98 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.89 -43.92 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.621 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.405 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 19.7 tt -150.26 131.4 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 163.01 36.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.53 -34.05 94.2 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.469 2.113 . . . . 0.0 112.038 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -57.16 -42.66 81.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.72 -43.33 90.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.304 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.413 HG23 HD13 ' A' ' 71' ' ' ILE . 97.0 mt -64.85 -44.22 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.557 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.09 -45.27 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -62.04 -40.46 95.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.636 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.63 87.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.88 -37.26 85.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 49.1 m-80 -59.83 -38.74 82.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.341 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.41 -33.48 54.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.0 110.611 179.871 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -158.55 136.01 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.412 179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.857 0.36 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 99.96 11.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.801 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -92.26 151.23 20.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.141 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.14 132.5 50.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.018 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 24.2 m-85 -119.52 129.61 54.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.995 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -99.49 114.34 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -100.08 111.01 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.199 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.2 mt -94.89 -6.88 41.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.94 28.27 13.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -85.13 130.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.301 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.507 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 2.8 t -116.07 130.57 56.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 41.91 -168.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.814 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 p -102.39 -9.61 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.193 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -65.85 -17.3 64.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.47 -2.21 58.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.496 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -53.24 -56.68 21.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 28.0 Cg_endo -59.18 -31.9 96.15 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.076 1.851 . . . . 0.0 112.224 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.3 -43.53 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.32 -43.65 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.22 -32.84 73.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -61.15 -39.88 91.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.437 ' O ' ' OG ' ' A' ' 41' ' ' SER . 34.7 mm -62.83 -45.65 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.546 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.32 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.63 -41.07 80.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 87.8 p -64.09 -33.26 75.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.94 146.31 41.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.643 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 53.1 t0 -101.68 151.3 22.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.258 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 99.52 -24.42 32.28 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.8 m -68.14 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.443 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -99.77 -55.29 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.16 161.72 42.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -158.69 159.73 35.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -143.21 133.99 25.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -100.25 113.72 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.3 mt -108.5 100.21 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.633 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -39.77 3.41 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.3 Cg_exo -54.63 -34.54 83.67 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.543 2.162 . . . . 0.0 112.185 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 t -108.1 2.28 22.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 48.61 38.21 10.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -125.77 131.98 52.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.361 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.59 129.07 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.137 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.79 132.19 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.381 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -142.72 134.26 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 t -103.87 124.51 58.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.618 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -155.13 156.54 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -80.66 119.33 23.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.226 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -57.02 -30.03 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.7 -53.23 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.784 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.1 -43.99 85.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.014 0.435 . . . . 0.0 110.815 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.3 tt -148.25 135.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.146 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 162.12 28.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.774 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.38 -33.76 86.64 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.499 2.132 . . . . 0.0 112.292 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.84 -42.3 79.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.708 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.68 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.618 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.53 -38.85 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.74 -45.21 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.52 -39.25 93.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.45 -39.47 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.35 -39.05 89.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.63 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.796 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.756 0.313 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -150.18 168.93 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.333 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.538 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 . . . . . 0 C--O 1.231 0.088 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -97.17 115.36 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.198 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -110.57 151.14 27.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -101.99 123.73 46.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.135 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 38.6 m-85 -107.2 125.72 51.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -86.76 109.35 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.58 111.32 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 9.5 mp -94.26 -22.75 18.19 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.13 21.72 7.86 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -87.19 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.377 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -120.58 135.4 55.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.794 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 29' ' ' THR . 14.3 p 38.99 -139.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.604 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -133.32 -4.48 3.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 110.733 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.491 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 85.1 p -64.17 -19.15 65.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.65 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.577 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 55.1 mp0 -87.6 4.26 44.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.528 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -50.52 -56.63 17.33 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.679 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.6 Cg_endo -58.53 -32.43 96.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.193 1.929 . . . . 0.0 112.033 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mm -68.08 -43.16 85.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.406 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.98 -44.18 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.459 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -61.68 -39.01 89.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' A' ' 41' ' ' SER . 97.1 mt -63.0 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.67 -38.72 91.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -57.83 -34.81 70.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 79.2 p -58.01 -24.36 57.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.403 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.1 mt -80.73 -164.95 0.79 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 22.5 p-10 -143.95 -53.88 0.35 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.39 -16.34 2.26 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.9 m -74.53 131.56 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -100.15 -52.32 3.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 160.42 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -159.76 162.02 34.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 t -144.98 137.41 26.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.433 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -97.03 116.46 39.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.151 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -111.28 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.383 0.611 . . . . 0.0 110.147 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.678 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.17 -34.94 1.77 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.059 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.3 Cg_exo -55.33 -37.26 94.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.124 1.883 . . . . 0.0 112.098 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.9 p -110.67 2.11 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.597 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 55.56 52.82 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.7 m -136.99 152.77 50.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.9 133.59 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.4 131.48 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.359 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.89 134.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.456 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.03 125.27 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -150.37 161.09 43.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -88.22 119.59 28.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.108 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -53.8 -23.78 13.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.25 -54.97 6.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.8 tt -146.1 149.1 16.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.425 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.69 162.3 20.13 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.22 -33.41 95.93 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.524 2.149 . . . . 0.0 112.125 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.44 -40.42 91.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.2 -40.71 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.21 -44.29 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.48 91.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.582 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -63.27 -40.64 97.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.73 91.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.377 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.63 -37.73 87.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.52 -38.44 87.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.575 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.0 -37.94 75.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.518 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.706 0.288 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.44 127.4 29.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.35 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.816 179.227 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.1 138.6 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -133.42 151.53 51.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -105.17 134.52 48.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.1 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 43.6 m-85 -120.97 132.66 55.06 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.044 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.8 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.09 88.18 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.38 -41.39 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.204 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 31.63 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.579 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.6 tp -89.35 130.05 39.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.248 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -132.6 141.29 48.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.914 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 7.6 p 43.78 -169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.59 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 p -122.11 -8.61 8.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.382 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.0 t -66.11 -20.91 66.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 12.7 pt-20 -91.04 9.66 29.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.39 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t -60.49 -42.4 88.38 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 31.3 Cg_exo -58.9 -33.91 98.85 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.652 2.235 . . . . 0.0 111.56 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.08 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.427 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.91 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.586 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -63.78 -34.48 78.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.19 -40.24 96.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.12 -44.43 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.52 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.418 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.93 -38.71 83.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.298 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.8 m -61.48 -36.18 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.694 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.76 148.13 46.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 55.3 p-10 -104.67 148.67 26.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.257 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.35 -21.9 41.12 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -72.11 130.37 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 0.0 110.402 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -93.64 -51.4 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.35 161.28 41.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -162.5 162.14 27.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -149.97 142.25 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.09 118.41 45.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.3 mt -109.67 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.23 0.538 . . . . 0.0 110.104 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.674 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.47 -34.39 1.58 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.953 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 43.0 Cg_exo -55.29 -37.86 94.18 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.086 1.857 . . . . 0.0 112.354 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.7 p -111.78 3.54 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.564 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.46 52.78 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.678 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 m -135.43 155.63 50.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.6 t -128.0 133.23 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.7 129.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.269 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.12 136.99 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.35 125.39 63.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -156.08 159.93 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.487 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -86.34 117.54 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 t -54.5 -22.89 14.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.64 -55.17 6.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.555 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.04 -42.93 93.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 tt -148.38 133.81 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.02 162.22 31.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.09 -34.34 92.48 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.626 2.217 . . . . 0.0 112.183 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -56.79 -40.25 75.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -64.09 -42.89 96.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 71' ' ' ILE . 97.3 mt -64.03 -44.76 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -67.44 -39.81 85.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -64.27 -38.56 91.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.03 92.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.03 -39.14 89.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 69.6 m-80 -61.45 -34.76 75.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -48.68 -38.05 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.613 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.398 179.601 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.678 0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -151.62 140.57 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.246 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 0.0 110.235 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.892 0.377 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -81.86 137.22 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -137.72 142.68 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.39 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.99 135.47 44.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.283 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 m-85 -120.83 131.48 54.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.43 . . . . 0.0 110.212 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -90.33 117.12 28.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.78 127.17 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.214 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' ILE . 56.4 tp -114.61 -28.42 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.685 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.33 12.69 9.23 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' LEU . 16.4 tt -89.46 131.19 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 30.0 p -132.09 137.81 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.441 ' SG ' ' C ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 58.65 165.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.427 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 t -98.47 0.6 45.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.9 t -74.95 -12.47 60.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 56.0 mp0 -91.68 9.23 33.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.686 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.63 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 41.5 t -62.03 -41.37 75.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.0 Cg_exo -61.16 -42.68 34.04 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.847 2.365 . . . . 0.0 111.817 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.34 -43.31 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.255 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.0 -44.77 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.256 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.14 -33.19 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -63.99 -37.38 87.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.25 -45.25 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.88 -38.86 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.507 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -57.79 -37.97 74.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.223 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -61.82 -39.61 92.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.404 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.15 144.93 53.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 43.1 p-10 -104.84 112.56 25.72 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -20.76 2.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -72.07 131.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.551 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.98 -47.92 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.49 159.7 41.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -162.4 161.25 27.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 t -147.96 134.31 19.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.45 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 t -100.16 116.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.1 mt -115.21 100.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 109.986 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.65 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.94 -39.56 3.42 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 178.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.1 Cg_exo -55.2 -33.13 83.32 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.739 2.293 . . . . 0.0 111.808 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.1 t -108.82 1.09 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.394 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 49.39 39.29 16.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.2 m -125.48 139.78 53.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.75 131.12 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 tt -124.42 130.44 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.594 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.07 134.54 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.561 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.46 128.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.314 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -155.79 158.63 38.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.75 116.18 18.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.415 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -58.05 -41.91 84.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.47 -48.79 78.07 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.987 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.38 -46.87 72.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 110.486 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 tt -142.08 136.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.399 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.14 159.8 47.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.43 -27.27 62.61 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.731 2.287 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.28 -36.87 83.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.362 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.88 -38.63 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.41 -43.84 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.341 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.11 98.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.91 -39.97 96.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.94 89.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.428 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.39 -39.69 88.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.426 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -54.41 -38.79 66.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -149.83 139.6 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -98.64 140.81 32.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -147.87 151.75 36.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.27 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -89.66 129.92 36.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.403 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 84.3 m-85 -120.36 104.71 10.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.03 137.82 40.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.083 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 m -127.22 131.29 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.561 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -105.66 -29.41 10.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.99 29.77 2.7 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 tp -85.19 131.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.611 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.8 t -130.27 129.88 43.85 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.174 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 15.7 p 39.98 -163.54 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.971 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.47 -4.01 15.76 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.13 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -76.73 -10.21 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.39 6.01 47.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.35 179.539 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 79.4 t -63.87 -38.48 37.11 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 30.8 Cg_exo -62.68 -38.53 49.43 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -65.38 -44.64 94.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.98 -43.69 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.532 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.07 -32.06 73.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.756 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -62.45 -40.14 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.868 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.413 ' O ' ' OG ' ' A' ' 41' ' ' SER . 39.6 mm -62.03 -47.41 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.765 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.21 -37.95 87.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.287 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.41 -41.69 85.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.204 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 97.8 p -65.16 -32.62 74.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.37 150.34 38.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -107.59 146.46 31.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.3 -20.69 39.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 m -72.83 130.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.377 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -97.61 -54.3 3.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.22 159.52 44.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.132 0.491 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -157.85 160.91 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t -146.5 133.3 20.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.165 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -101.27 112.18 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt -108.41 100.14 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -74.44 -39.56 3.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.622 179.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.9 -33.91 73.92 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.229 1.953 . . . . 0.0 112.069 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -109.93 3.41 20.51 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 48.62 39.64 13.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.714 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.7 m -127.35 134.53 49.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.09 129.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -118.58 130.36 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.145 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' A' ' 21' ' ' PHE . 3.8 p -140.94 137.99 34.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.897 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.8 t -108.82 127.29 65.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -156.64 159.53 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.554 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.15 120.94 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.402 . . . . 0.0 110.163 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -59.36 -42.46 91.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 3.9 mm? -61.91 -46.52 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tt -68.52 -46.74 68.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.562 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.73 135.7 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.153 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.484 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . 70.2 m -76.92 148.41 78.86 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.313 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.94 -48.89 17.48 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.753 1.635 . . . . 0.0 112.74 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.484 ' CE2' ' CB ' ' A' ' 67' ' ' SER . 14.4 p90 -55.58 -29.7 59.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -56.72 -40.77 76.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.245 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.73 -43.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.81 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.93 -41.33 99.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.12 98.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.33 -39.84 92.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.838 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.96 -39.16 68.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.468 179.843 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.833 0.349 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.495 HD21 ' C ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -154.77 168.3 27.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.39 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.447 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -82.92 103.86 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.996 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' CZ ' ' A' ' 21' ' ' PHE . 10.4 t -100.66 139.02 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.385 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -103.74 133.65 48.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.804 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CZ ' ' OG ' ' A' ' 19' ' ' SER . 32.5 m-85 -122.67 134.02 54.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.168 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.82 107.3 18.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -93.59 91.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.53 -39.73 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.47 44.49 1.43 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.3 tp -89.73 129.6 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.243 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 t -125.81 129.61 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.0 p 40.66 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.678 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -7.25 15.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.173 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -68.54 -15.52 63.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.3 -5.03 59.21 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -55.45 -57.08 22.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 14.9 Cg_endo -53.9 -37.53 85.53 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.357 2.038 . . . . 0.0 112.235 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.8 mp -65.13 -43.55 95.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.4 HG23 HD11 ' A' ' 35' ' ' ILE . 95.6 mt -62.65 -44.64 99.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.08 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -63.56 -39.17 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.23 -44.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.52 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.274 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -58.07 -40.96 82.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 t -62.07 -41.23 97.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.74 146.14 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -103.8 148.08 26.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -23.28 34.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -66.51 132.19 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -98.76 -55.72 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.89 158.58 43.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.464 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -157.73 162.74 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.759 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -145.36 132.39 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -100.85 114.48 40.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.187 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.4 mt -111.32 97.9 6.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -74.17 -38.99 3.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.534 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 36.0 Cg_exo -56.52 -29.92 80.45 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.731 2.287 . . . . 0.0 112.157 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -112.35 0.99 15.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 50.46 34.74 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.4 m -121.19 134.68 55.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.56 131.78 66.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.909 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 tt -125.33 130.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.483 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.99 131.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.45 125.84 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -153.68 157.83 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -82.69 117.04 22.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.058 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -52.55 -36.75 56.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.186 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 tp -63.09 -51.7 65.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.59 -45.01 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.012 0.434 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.437 ' CD1' ' OE1' ' A' ' 70' ' ' GLN . 15.9 tt -147.23 138.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.677 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 160.67 39.57 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.34 -29.16 63.3 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.849 2.366 . . . . 0.0 111.715 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.05 -43.12 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.437 ' OE1' ' CD1' ' A' ' 66' ' ' ILE . 46.9 tt0 -63.6 -42.48 98.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.658 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.29 -44.57 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.22 89.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.53 -41.16 98.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.61 83.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.32 -42.52 96.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.43 -39.13 93.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.716 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -51.68 -34.52 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.481 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.494 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -153.38 160.26 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.465 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -79.47 137.66 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.324 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -147.5 144.03 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.275 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -104.84 130.12 53.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -113.42 116.86 30.3 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.401 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.0 108.74 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.05 129.94 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.182 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.27 -1.33 28.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.435 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.65 19.18 38.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 tt -83.54 130.63 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.353 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.8 t -113.1 130.8 56.06 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.9 p 40.47 -164.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.636 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.1 m -108.78 -11.79 15.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.462 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.479 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 59.8 p -66.92 -14.47 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.12 -5.15 59.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -48.92 -56.7 13.99 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.026 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 16.7 Cg_endo -54.88 -42.08 72.35 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.618 2.212 . . . . 0.0 111.888 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.428 HG21 HD13 ' A' ' 34' ' ' ILE . 97.0 mt -64.5 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.421 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.85 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.24 -34.29 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.452 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.62 -38.84 86.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.53 -44.27 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.569 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.71 -38.75 75.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.86 147.39 52.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.257 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 40.4 p-10 -106.85 111.99 24.76 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.94 -15.89 2.82 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 m -78.41 132.03 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -100.45 -47.43 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.67 157.37 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -158.4 160.28 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 p -146.87 128.36 15.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.08 109.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -108.28 102.04 13.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.0 110.095 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.62 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.49 -41.1 4.59 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.305 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.53 -32.39 63.27 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -110.04 1.38 18.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.454 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 48.91 37.43 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.6 m -127.51 134.21 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.29 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.79 131.37 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 pt -124.09 136.37 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.96 136.53 26.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.453 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.93 126.24 59.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -153.01 162.64 41.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.689 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -81.25 118.71 22.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 t -60.67 -42.64 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.809 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.52 -47.03 85.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.828 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.412 0.625 . . . . 0.0 110.44 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.0 tt -143.34 137.13 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 p -89.96 155.22 47.56 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.85 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.22 -34.58 79.81 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.531 2.154 . . . . 0.0 112.332 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -56.42 -38.09 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.625 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.66 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -44.4 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -66.53 -40.98 89.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.728 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.19 -43.79 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.44 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.23 81.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.07 -41.45 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ALA . 81.0 m-20 -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.761 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -49.68 -24.74 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.386 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.772 0.32 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -150.04 169.23 21.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 N--CA 1.465 0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.446 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.899 0.38 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.31 141.48 35.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.198 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -148.85 157.27 43.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.61 127.28 53.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.214 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 41.5 m-85 -110.93 115.68 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -83.18 116.93 22.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.98 96.51 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 3.9 mm? -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 45.99 3.11 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -88.44 130.17 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.243 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.7 t -131.83 131.38 42.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.0 p 39.93 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.508 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -8.52 14.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -63.62 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -88.11 4.26 46.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -59.63 -56.03 39.86 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 21.4 Cg_endo -58.67 -31.18 94.25 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.96 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -65.76 -44.92 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.36 -44.38 97.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.51 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -63.12 -38.9 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.33 -44.49 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.46 -39.17 93.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.27 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HZ2' ' CB ' ' A' ' 40' ' ' LYS . 5.7 ttpm? -57.52 -39.29 76.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.402 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.7 m -61.68 -33.66 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.16 146.26 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -109.18 111.38 22.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.53 -17.11 2.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.8 m -75.58 132.7 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -95.26 -48.46 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -156.39 157.6 35.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -158.31 159.69 36.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -143.36 134.41 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.9 t -101.81 116.34 45.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.5 mt -113.33 98.9 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.008 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.635 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.32 -39.67 4.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.451 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.4 Cg_exo -55.18 -31.13 74.55 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.542 2.162 . . . . 0.0 112.208 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.5 p -111.9 2.07 16.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 49.38 36.55 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.2 m -123.58 133.14 54.0 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.45 133.04 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.187 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.5 tt -125.1 130.6 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.7 132.9 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.638 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 t -105.19 123.43 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -149.62 163.24 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.408 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -85.27 118.43 24.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.02 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.6 p -56.49 -21.14 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.491 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.86 -55.05 5.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.2 -43.78 90.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -146.02 141.08 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.24 163.01 19.1 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.09 -36.48 96.34 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.15 -39.3 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.634 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.292 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.27 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -64.33 -38.24 90.35 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.81 97.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.609 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.54 -40.39 95.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.34 -24.85 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.567 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -53.26 -31.87 45.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.522 HD21 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -151.14 169.44 21.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.355 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.211 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.075 0.464 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.26 131.31 37.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.097 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -134.75 150.02 50.51 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -114.63 128.84 56.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.555 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 7.7 m-85 -120.34 118.68 31.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.59 139.57 38.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.221 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.91 125.88 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.078 0.466 . . . . 0.0 110.255 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -107.7 -19.28 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.462 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.75 17.67 55.67 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tp -76.41 129.25 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.447 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -127.9 136.45 51.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 29' ' ' THR . 13.6 p 37.24 -143.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.686 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 t -130.56 -4.74 4.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.7 t -62.46 -19.24 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 54.6 mp0 -85.05 -7.1 59.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.495 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -45.99 -57.6 7.84 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 20.0 Cg_endo -56.56 -42.41 65.61 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.36 2.04 . . . . 0.0 112.435 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.04 -43.36 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.502 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.48 -44.95 99.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.49 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.67 -33.24 75.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 0.0 110.626 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.29 -38.75 92.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.756 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.67 -44.79 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.29 -39.36 93.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.8 -37.96 71.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.385 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 t -61.79 -39.97 93.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -69.34 139.53 54.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.547 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -100.54 110.82 23.01 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.536 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.01 -20.81 2.13 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.5 129.05 36.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -94.67 -48.0 6.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -155.06 158.29 38.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.653 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -158.69 158.75 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.864 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -144.19 133.42 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.8 t -100.7 115.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.221 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.405 HG21 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -115.2 101.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.89 0.376 . . . . 0.0 110.021 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.92 -40.45 3.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 179.401 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 52.0 Cg_exo -53.41 -36.1 78.01 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.488 2.125 . . . . 0.0 112.32 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' ARG . 10.6 t -111.21 17.25 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.759 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.0 ptp180 33.83 41.9 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.35 0.406 . . . . 0.0 111.105 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 54' ' ' SER . 56.9 m -126.25 132.42 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.273 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.5 t -120.03 129.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.699 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -123.87 142.84 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -149.48 138.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -106.26 127.48 61.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -154.94 162.4 41.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -85.6 118.24 24.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.13 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 t -59.36 -41.9 90.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.55 -49.18 77.7 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tt -66.65 -46.76 74.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.0 110.551 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.12 135.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 155.34 70.67 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.59 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.39 -27.54 71.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.855 2.37 . . . . 0.0 111.79 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -62.96 -37.06 85.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.92 -40.87 96.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.45 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.56 -44.27 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.69 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.55 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.01 -40.1 96.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.43 80.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.04 -39.23 90.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -62.46 -38.72 90.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -49.48 -33.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.627 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.455 HD21 ' C ' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -154.44 157.94 39.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.552 179.73 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.398 -179.887 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.978 0.418 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.73 137.82 37.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.205 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -149.77 152.61 35.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.226 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -111.82 128.69 56.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.302 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.78 106.77 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.151 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.94 117.39 24.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.39 131.25 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 110.279 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 26' ' ' ILE . 71.1 mt -105.04 -20.55 13.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.46 31.13 2.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' LEU . 20.7 tt -84.86 124.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.827 0.346 . . . . 0.0 110.431 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 28' ' ' CYS . 9.4 t -94.66 134.22 37.47 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 27' ' ' CYS . 14.3 p 34.69 -151.66 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.089 0.243 . . . . 0.0 111.251 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 47.6 p -130.43 -0.65 4.47 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.884 0.374 . . . . 0.0 110.462 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.41 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 89.1 p -76.32 -6.26 50.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.14 0.97 42.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 t -41.75 -57.7 3.78 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.3 Cg_endo -57.2 -39.25 91.83 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.978 1.785 . . . . 0.0 112.132 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.426 HD13 HG22 ' A' ' 35' ' ' ILE . 97.2 mt -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.283 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.39 -32.8 73.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.378 . . . . 0.0 110.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.43 -39.25 93.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.971 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.61 -46.38 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.496 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.09 -38.9 92.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.346 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.35 -39.73 76.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 -40.97 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.615 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.92 144.31 56.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.66 149.15 23.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.409 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.03 -21.94 43.38 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -68.09 131.78 33.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.41 . . . . 0.0 110.281 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -97.36 -50.71 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -156.8 161.09 39.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -158.46 159.69 35.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -143.64 136.63 27.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.261 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.3 t -102.95 111.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.957 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' OG ' ' A' ' 54' ' ' SER . 55.1 mt -99.9 109.53 24.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.556 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.35 -43.37 4.32 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.359 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 49.1 Cg_endo -68.37 -16.2 43.19 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.839 1.692 . . . . 0.0 112.894 -177.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.506 ' HG ' ' H ' ' A' ' 56' ' ' THR . 24.4 p -117.53 2.25 12.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.857 0.36 . . . . 0.0 110.447 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 42.87 23.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.506 ' H ' ' HG ' ' A' ' 54' ' ' SER . 58.4 m -110.82 134.68 52.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.139 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -109.68 130.14 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.777 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.4 tt -119.76 131.61 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.27 134.01 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.384 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -103.64 120.31 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.757 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -149.96 154.2 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.506 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.63 125.94 31.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -58.43 -40.01 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.481 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.44 -52.48 65.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.89 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.17 -43.77 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.747 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.2 tt -149.88 133.23 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.224 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.36 161.94 35.75 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.1 -34.84 93.95 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.338 2.025 . . . . 0.0 112.297 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.03 -40.48 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.57 -44.77 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.41 -43.86 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.37 99.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.678 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.2 -39.83 94.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.725 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.83 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.834 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.21 -39.07 93.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 82' ' ' ALA . 3.2 m120 -59.83 -38.48 82.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.341 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.95 -33.85 67.44 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.861 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' H ' ' ND2' ' A' ' 76' ' ' ASN . . . . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.761 0.315 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -131.86 140.17 49.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.427 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.806 0.336 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -78.88 132.14 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -133.53 141.76 47.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.208 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -105.51 128.75 53.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.188 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 26.2 m-85 -109.97 131.64 54.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.213 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.09 112.34 24.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.218 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.85 122.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.358 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.1 mt -105.73 -7.04 18.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.546 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.65 18.98 47.46 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.9 tp -88.95 129.39 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.2 p -132.46 159.9 38.01 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 45.4 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.43 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -3.31 5.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.663 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -75.33 -8.96 58.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.571 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 56.9 mp0 -87.65 -6.02 58.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.579 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.5 t -51.45 -55.29 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.215 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 19.0 Cg_endo -58.21 -38.67 90.12 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.561 2.174 . . . . 0.0 112.0 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.17 -42.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.266 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.82 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.95 -33.58 75.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -65.39 -38.81 91.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.586 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.05 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.79 -39.12 93.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.75 -40.45 79.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 m -60.55 -34.01 73.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.7 147.03 43.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -100.99 141.63 33.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.08 -17.75 40.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.1 m -69.5 131.15 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.666 0.27 . . . . 0.0 110.456 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -102.5 -50.76 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.62 156.86 38.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -160.53 161.08 32.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.808 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -148.67 138.05 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.69 119.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 51' ' ' ILE . 51.6 mt -109.21 113.53 44.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 121.236 0.541 . . . . 0.0 109.768 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.634 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.09 -45.81 4.74 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.07 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 42.7 Cg_endo -68.71 -12.18 33.92 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.504 2.136 . . . . 0.0 112.433 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.6 m -121.84 8.62 9.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' SER . 34.2 ptt180 32.04 35.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' SER . 91.4 m -122.48 132.88 54.55 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.56 133.66 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.216 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -126.76 141.03 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.356 0.598 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -149.58 136.62 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.58 128.56 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -152.77 162.16 41.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.08 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -57.9 -36.96 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.13 -51.1 61.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.751 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.94 -46.62 80.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 110.416 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -143.42 140.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.08 160.8 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.559 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.78 -25.35 60.88 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.701 2.267 . . . . 0.0 111.953 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.68 -38.63 88.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -64.62 -41.44 96.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.76 -44.0 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.536 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.74 -42.12 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.65 -39.25 93.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.0 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.9 -40.32 91.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 61.1 m-80 -61.62 -38.91 89.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.496 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -51.61 -40.87 60.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 179.806 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.809 0.338 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.19 146.83 51.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.083 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.011 0.434 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.67 140.67 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.766 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.447 ' OG ' ' CZ ' ' A' ' 21' ' ' PHE . 2.5 t -140.27 144.8 36.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.221 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.06 126.81 47.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.242 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.87 122.13 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.693 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -90.8 111.18 22.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 t -99.77 88.9 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 26' ' ' ILE . 4.0 mm? -65.61 -40.96 93.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.542 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.72 33.35 0.6 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.54 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.3 tt -89.56 128.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.228 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.522 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.1 t -120.1 129.01 53.99 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.126 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 41.04 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -104.69 -12.47 16.35 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.365 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -67.18 -11.83 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.762 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -89.98 8.01 34.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.215 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.565 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.5 t -60.99 -41.59 82.37 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 34.3 Cg_exo -59.68 -38.79 79.14 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.593 2.196 . . . . 0.0 112.028 -179.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.499 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -65.17 -44.99 95.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.367 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.34 -43.97 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.445 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.84 -31.73 72.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.01 -40.64 96.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.768 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.44 -46.16 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.88 -40.15 96.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.196 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.16 -39.94 80.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.277 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.9 m -61.24 -36.16 79.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.21 141.96 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.65 107.54 18.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.03 -13.6 1.69 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -77.99 128.13 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.438 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.81 -47.03 6.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -156.88 156.63 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -156.91 159.62 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -143.34 136.9 28.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.11 116.62 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -107.14 100.14 10.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.522 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 m -76.0 -36.33 1.89 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.852 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 60.4 Cg_endo -72.8 -13.5 26.78 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.11 1.206 . . . . 0.0 112.771 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -121.0 0.39 10.22 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 49.02 39.37 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -130.21 141.17 50.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.26 131.72 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -120.89 130.28 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.347 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.17 134.33 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.88 126.52 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.565 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -154.22 152.79 30.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.516 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.01 119.91 14.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.191 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -43.03 97.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.481 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 4.0 mm? -62.89 -47.18 84.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.967 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.3 -46.41 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.224 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 tt -144.56 139.53 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 161.28 33.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.02 -24.55 52.52 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.62 2.213 . . . . 0.0 111.688 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.81 -37.49 86.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.92 -38.58 86.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -44.49 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -65.85 -40.04 91.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.63 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -63.67 -41.1 98.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.497 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.6 97.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.409 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.79 -38.7 89.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.745 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 63.7 m-20 -60.6 -39.73 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.416 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.27 -28.76 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.88 0.371 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.509 HD21 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -152.89 167.29 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.7 mt 58.08 169.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.322 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.562 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 1.2 pm0 -66.46 -37.79 85.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 7' ' ' GLU . 18.6 t-20 58.91 56.83 3.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -55.47 -9.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.471 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 5' ' ' ASN . 44.4 tp10 -57.31 -22.83 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.191 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -51.63 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.586 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.84 -51.95 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.1 tttt 46.19 57.11 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -62.74 -43.68 98.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -141.15 144.12 34.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.3 -51.12 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.7 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -177.93 70.41 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.647 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -132.51 139.85 48.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.065 0.46 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.29 -172.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -134.23 111.43 10.25 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -83.72 138.33 33.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.142 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -134.09 149.87 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.89 133.77 51.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.1 m-85 -119.79 135.71 54.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.105 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -98.48 108.09 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.114 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.49 93.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 26' ' ' ILE . 3.9 mm? -72.52 -36.63 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.43 22.24 1.36 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' H ' ' C ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -89.71 123.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' CYS . 23.3 p -134.32 159.7 40.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.179 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 44.92 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -121.23 -4.65 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -73.67 -15.42 61.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.624 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -85.26 -4.89 59.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -48.85 -56.76 13.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.7 Cg_endo -54.2 -41.62 74.37 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.334 2.023 . . . . 0.0 112.122 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.436 HG22 HD12 ' A' ' 34' ' ' ILE . 96.7 mt -64.22 -43.55 97.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.406 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.0 -44.3 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.07 -32.48 73.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.35 -39.15 92.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.536 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' O ' ' OG ' ' A' ' 41' ' ' SER . 94.1 mt -62.66 -45.17 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.292 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.81 -38.77 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.0 110.466 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.09 -39.59 82.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.327 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 95.9 p -61.04 -33.03 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.495 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.83 146.05 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 62.1 t0 -102.81 144.14 31.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.525 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 103.15 -19.43 46.2 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -66.88 133.18 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.539 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -96.42 -54.61 3.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -155.8 159.69 39.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.488 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.83 161.58 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 t -148.47 140.7 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.372 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.63 117.72 47.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.82 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 110.004 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.679 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -74.47 -35.34 2.16 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.804 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.7 Cg_exo -54.6 -35.86 87.59 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.101 1.867 . . . . 0.0 112.019 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -111.25 1.88 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.769 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 54.74 52.7 11.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -140.63 145.46 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -127.25 130.17 70.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 pp -122.5 137.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.046 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -147.36 138.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -110.39 126.08 67.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -151.9 163.18 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.04 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -86.94 120.14 27.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -57.18 -35.92 70.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.548 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 10.4 mp -63.56 -48.09 78.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.74 -44.52 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 tt -150.15 135.61 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.549 ' HG ' ' H ' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -92.15 162.84 29.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.21 -32.59 93.99 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.511 2.141 . . . . 0.0 112.036 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.549 ' H ' ' HG ' ' A' ' 67' ' ' SER . 90.2 m-85 -58.54 -39.73 80.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.693 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.31 -43.4 98.91 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.404 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.74 -44.38 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.38 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.16 93.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -63.5 -39.37 94.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.16 95.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.29 -36.76 83.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.655 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -60.94 -37.46 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -53.16 -44.59 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.2 -10.43 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.729 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 69.49 47.78 0.65 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.868 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 81' ' ' GLU . 8.9 mp -105.35 5.43 31.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.196 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' LEU . 51.2 mt-10 54.87 105.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.145 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.29 139.94 51.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.324 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -145.85 141.89 28.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.76 114.23 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.303 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 38.64 91.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.759 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.77 128.27 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -95.21 1.13 54.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.464 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.37 -131.61 52.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -160.39 -13.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m 43.47 79.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.3 m -74.47 143.23 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 93' ' ' LYS . 47.1 p90 -62.95 -46.97 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 92' ' ' PHE . 87.8 tttt -156.02 -21.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.502 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -85.98 103.68 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.514 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -146.44 78.59 1.51 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.756 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.54 115.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.995 0.426 . . . . 0.0 109.909 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -97.2 116.6 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.064 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -89.48 118.34 29.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.336 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.34 -32.41 73.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -51.85 -29.22 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 6.4 mp0 -65.17 -20.8 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.326 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.28 -39.64 87.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -139.91 139.51 36.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.56 -41.28 98.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 56.44 108.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 m -72.82 135.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.5 mmtm -92.58 -73.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER 51.57 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.182 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.9 mm? -73.55 141.09 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -111.97 108.01 17.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.199 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.95 131.81 35.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.813 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -139.19 148.6 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.216 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -109.26 128.31 54.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.074 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.7 m-85 -112.34 105.0 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 99.5 m-20 -72.2 138.67 47.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.274 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 m -128.29 129.48 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.406 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -108.82 -18.96 13.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.428 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.91 36.71 3.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 tt -86.05 122.99 39.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.357 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.7 t -100.63 130.09 46.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.5 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.5 p 39.77 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.63 -1.53 9.0 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.161 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.468 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 99.5 p -76.23 -7.59 55.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.464 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.88 5.47 36.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -53.62 -57.0 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.0 Cg_endo -57.4 -32.35 93.74 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.173 1.916 . . . . 0.0 112.233 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.17 -42.8 88.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.392 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.83 -44.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.333 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 110.608 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.76 -38.22 89.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.468 ' O ' ' OG ' ' A' ' 41' ' ' SER . 95.6 mt -62.99 -44.19 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.52 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.07 -36.25 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.988 0.423 . . . . 0.0 110.38 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.41 -39.05 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.355 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 82.6 p -64.9 -33.6 76.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.63 141.1 48.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -104.52 108.47 19.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.97 -13.68 1.92 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.5 m -80.04 127.12 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 110.647 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -93.19 -47.98 6.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.546 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.71 156.14 34.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -157.33 163.17 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.718 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -149.7 144.71 26.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.283 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.96 122.84 61.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.052 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 54' ' ' SER . 60.1 mt -118.83 99.67 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.628 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.18 -40.34 3.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.697 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 48.7 Cg_exo -54.45 -38.83 89.68 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.599 2.199 . . . . 0.0 112.286 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 51' ' ' ILE . 61.2 m -100.7 -4.45 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.61 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 53.75 46.4 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.1 m -133.85 148.98 51.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.7 t -120.4 133.29 67.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.942 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -125.43 130.04 72.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.345 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -145.95 132.38 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.01 124.99 58.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -149.88 163.74 37.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -81.81 116.74 21.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.868 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -57.61 -39.82 77.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.54 -52.24 61.98 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.016 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.23 -45.61 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.6 tt -144.08 136.52 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.32 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.81 163.06 21.04 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.8 -33.47 81.19 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.576 2.184 . . . . 0.0 111.991 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -56.19 -43.45 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.721 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -61.87 -42.85 99.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 71' ' ' ILE . 97.6 mt -64.7 -44.22 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.79 -40.39 95.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.467 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.24 98.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.571 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.66 -35.08 79.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.594 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.16 -37.2 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.619 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -53.94 -38.31 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.35 -9.36 58.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 69.07 49.46 0.63 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.18 0.24 25.16 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.918 0.39 . . . . 0.0 110.373 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 54.13 63.42 2.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.151 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.66 145.91 25.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.398 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -148.77 152.9 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.657 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t -74.16 143.01 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.424 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -40.29 139.67 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.9 p -142.0 152.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.512 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -77.57 96.46 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.19 92.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.57 172.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 p -80.86 160.81 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -171.43 90.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.434 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.36 145.51 51.3 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -86.67 -91.42 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.064 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 93' ' ' LYS . 16.8 m120 -138.47 148.79 44.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.644 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.76 -42.64 99.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.747 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.458 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' A' ' 4' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 9.9 mp 55.06 6.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.52 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 2' ' ' ALA . 88.3 mt-30 -133.2 -85.02 0.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.513 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' O ' ' OD1' ' A' ' 5' ' ' ASN . 17.6 p30 -94.41 131.47 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -129.62 -10.05 4.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -69.54 -34.53 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -60.4 -46.2 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -80.09 -12.84 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt 54.64 172.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' VAL . 65.0 mttp -63.31 -41.64 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt 53.39 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.527 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 11' ' ' LYS . 11.1 p -99.89 123.5 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.963 0.411 . . . . 0.0 110.227 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -111.67 15.89 20.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.352 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 16' ' ' LEU . 36.0 ttpt -52.16 -71.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? 43.2 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -127.73 109.63 11.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.368 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 54.3 mtmt -78.42 138.74 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 20' ' ' TYR . 7.7 t -143.37 142.13 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.301 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' N ' ' HG ' ' A' ' 19' ' ' SER . 90.5 m-85 -108.79 127.25 53.85 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.359 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -112.46 123.12 49.59 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.06 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -94.08 111.18 22.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.83 128.02 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.45 -22.66 16.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 33.72 2.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 tp -89.49 130.33 38.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 t -129.72 131.15 46.22 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 40.56 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.812 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -1.88 15.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.296 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -73.12 -12.41 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -92.21 7.26 43.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.2 179.429 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.604 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 48.3 t -64.63 -39.94 44.76 Favored Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 39.0 Cg_exo -60.63 -43.25 33.66 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.636 2.224 . . . . 0.0 111.973 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.26 -43.67 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.707 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.52 -45.01 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.427 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.39 -33.69 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 0.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.99 -37.89 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' A' ' 41' ' ' SER . 5.3 mm -62.99 -44.48 99.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.45 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.17 -38.43 91.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.809 0.337 . . . . 0.0 110.351 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -57.46 -40.61 78.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 96.7 p -60.83 -34.05 73.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.499 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.21 145.41 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -105.57 110.69 23.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.74 -17.68 2.4 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.1 m -74.22 130.17 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.445 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -97.1 -47.19 5.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.33 158.74 36.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.71 160.39 36.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -144.62 131.6 20.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.131 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.51 115.76 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG23 ' H ' ' A' ' 54' ' ' SER . 63.6 mt -113.98 99.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.011 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.74 -39.76 3.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 50.4 Cg_exo -54.63 -35.91 88.05 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.437 2.092 . . . . 0.0 112.256 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' H ' HG23 ' A' ' 51' ' ' ILE . 8.8 m -103.57 -3.28 25.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.62 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 53.56 41.17 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.916 0.388 . . . . 0.0 110.693 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.7 m -129.57 140.99 51.06 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -117.33 130.59 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.7 130.32 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.82 133.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.381 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.2 t -105.04 127.68 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.77 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -153.87 163.01 40.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.45 118.95 22.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.017 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -58.62 -43.32 89.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 tt -61.91 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.592 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.34 -46.09 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.088 0.471 . . . . 0.0 110.647 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -144.41 139.13 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.179 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 162.61 20.42 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.798 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.45 -33.15 84.98 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.365 2.044 . . . . 0.0 112.235 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.55 -38.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.775 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -42.42 93.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 71' ' ' ILE . 97.0 mt -64.42 -44.13 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.51 96.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -39.39 94.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.423 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.85 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.83 -34.62 78.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -61.28 -35.79 78.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.98 -38.69 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.45 -13.14 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.395 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 62.6 51.13 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.079 0.466 . . . . 0.0 110.59 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -125.96 24.88 6.91 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.036 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 80' ' ' LEU . 80.2 tt0 46.97 100.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.688 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.0 138.92 37.68 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.69 169.25 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 86' ' ' VAL . 18.5 t -82.8 126.64 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 76.5 ttt180 36.43 -90.0 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.036 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' VAL . 79.1 t -80.21 133.34 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.146 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 16.4 p30 -89.9 129.66 36.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.85 134.94 12.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.18 134.61 48.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.572 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.479 ' HG1' ' HZ2' ' A' ' 93' ' ' LYS . 64.8 p -83.82 162.7 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 93' ' ' LYS . 17.0 m -82.66 160.82 22.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 54.06 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 91' ' ' SER . 9.8 ttmm 72.02 23.37 3.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -61.92 -49.81 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.71 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -68.52 -45.07 73.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.492 -179.771 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.7 mm? -78.79 140.34 38.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -146.87 153.49 40.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -141.68 129.68 21.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.44 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -139.49 -23.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.89 -36.55 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -65.97 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.566 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.59 -35.77 70.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.357 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -78.49 104.87 9.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.552 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.84 -44.3 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt 42.5 46.01 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 p -104.92 129.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.113 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 15' ' ' LYS . 98.5 mttt -141.41 175.04 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.385 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' LYS . 1.4 ttpp -56.7 -159.02 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.514 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 16' ' ' LEU . 10.4 mp -41.6 112.4 0.31 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.171 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -108.92 117.19 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.81 136.74 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.171 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -137.08 152.93 50.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.05 124.68 49.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.015 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -112.16 120.39 41.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -89.63 114.34 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.386 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.08 126.75 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.068 0.461 . . . . 0.0 110.239 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 26' ' ' ILE . 5.9 tp -107.11 -32.14 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.597 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.24 37.87 1.79 Allowed Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.7 tp -83.61 127.19 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.196 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' CYS . 8.2 t -113.41 132.08 55.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.193 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 27' ' ' CYS . 13.4 p 36.59 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 111.024 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 48.4 p -126.08 0.56 7.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -76.07 -6.42 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.57 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -84.99 1.59 46.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.253 -179.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.477 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.8 t -43.96 -57.26 6.29 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 27.5 Cg_endo -58.59 -37.29 95.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.162 1.908 . . . . 0.0 111.812 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.29 -44.52 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.414 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -33.13 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.605 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.78 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.484 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.61 -38.44 89.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.37 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.97 -39.0 77.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.281 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -62.07 -38.29 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.34 144.34 51.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 51.0 p-10 -100.97 145.94 28.03 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.285 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.19 -21.38 37.79 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.7 m -70.39 131.24 34.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.94 0.4 . . . . 0.0 110.513 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -97.07 -49.84 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -157.22 163.28 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -157.17 162.8 39.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -144.37 137.22 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -111.61 120.55 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.021 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 54' ' ' SER . 63.9 mt -109.97 113.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.939 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.598 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 19.3 t -73.89 -45.7 6.8 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.801 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 39.4 Cg_endo -65.48 -15.21 48.68 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.12 1.88 . . . . 0.0 112.645 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.413 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.2 t -114.75 -1.99 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 43.88 27.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.821 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.5 m -119.98 133.51 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.063 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -109.14 127.79 65.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.38 129.94 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.19 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.98 132.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.69 122.81 56.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -151.72 162.52 40.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -85.65 114.27 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.88 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.7 p -51.88 -31.77 29.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.133 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.33 -53.62 34.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.82 -43.61 88.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -147.8 135.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.93 161.57 43.72 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 -25.35 48.21 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.635 2.223 . . . . 0.0 111.703 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -63.63 -37.26 86.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.36 -41.48 89.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.36 -44.31 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.435 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.493 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -64.63 -37.35 87.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.11 94.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.76 -38.8 92.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.507 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 67.2 m-80 -61.63 -39.04 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.553 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.46 -41.13 84.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.55 38.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.537 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 50.35 18.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.41 92.59 4.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 110.06 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 133.66 56.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.23 147.24 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 83' ' ' ASN . 16.3 p30 -145.63 138.85 26.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.512 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.31 144.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.467 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -44.61 134.96 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.6 m -77.86 152.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 89' ' ' GLU . 60.4 t30 -63.12 138.43 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . -73.4 38.08 0.84 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 87' ' ' ASN . 82.3 tt0 58.46 146.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.534 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.444 ' CG2' ' H ' ' A' ' 91' ' ' SER . 2.0 m -157.67 -135.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.465 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 92' ' ' PHE . 5.4 m 54.75 -170.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.371 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' SER . 90.7 m-85 55.43 115.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 94' ' ' ASN . 68.6 mttm -68.15 151.46 46.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 93' ' ' LYS . 18.8 p30 43.12 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.96 152.6 40.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.9 t90 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.462 179.781 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.53 144.95 56.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -75.91 118.98 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.44 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -78.11 -14.48 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.479 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.594 ' H ' ' ND2' ' A' ' 5' ' ' ASN . 96.6 mt-10 -67.37 -38.19 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.81 -27.06 68.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -62.84 -34.74 77.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.369 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.86 142.41 58.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' LYS . 69.0 mttm -61.84 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.642 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' LYS . 17.6 tptp 58.35 147.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.83 131.36 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.327 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.63 153.96 40.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -139.74 0.07 1.77 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.52 -157.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.213 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -121.26 125.28 46.7 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.912 0.387 . . . . 0.0 110.198 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -85.08 136.91 33.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -134.2 152.84 52.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.079 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.7 141.85 44.78 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.135 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 40.1 m-85 -131.6 151.88 51.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.057 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -128.29 113.21 15.35 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.208 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -103.34 103.25 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.21 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 26' ' ' ILE . 55.3 tp -64.97 -40.73 95.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.301 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.21 40.42 0.34 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.522 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.0 tp -89.2 130.74 38.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 110.252 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 7.9 t -128.9 130.83 47.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.794 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' OG ' ' A' ' 30' ' ' SER . 14.4 p 39.36 -160.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.959 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.0 p -113.94 -1.3 13.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.216 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.502 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 61.9 p -76.72 -9.0 58.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.698 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.87 6.87 44.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.08 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.594 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 54.9 t -63.55 -40.55 59.04 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.551 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 38.5 Cg_exo -60.46 -42.93 36.96 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.612 2.208 . . . . 0.0 111.741 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.44 -43.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.428 HD13 HG21 ' A' ' 35' ' ' ILE . 97.2 mt -62.02 -45.0 99.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.256 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.74 -35.75 75.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.895 0.379 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.32 -37.96 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.672 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mm -62.22 -44.65 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.43 -39.59 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -58.35 -38.91 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.44 -40.13 93.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD2' HE22 ' A' ' 70' ' ' GLN . 67.9 mt -70.11 147.67 49.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -108.82 105.7 15.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.61 -18.37 1.0 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 m -79.74 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 0.0 110.489 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.56 -47.7 6.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.44 159.09 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -162.92 163.16 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t -152.59 140.45 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.376 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.55 116.03 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.6 mt -105.81 101.39 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.624 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -75.69 -40.42 3.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.5 Cg_exo -54.22 -35.36 82.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.536 2.157 . . . . 0.0 112.314 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 t -108.71 4.8 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 46.88 39.1 6.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.682 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.8 m -126.45 156.58 40.42 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.1 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.3 t -125.59 135.18 64.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 tt -122.39 130.12 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.291 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.47 135.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -104.62 128.52 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.682 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -156.72 161.48 39.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -82.59 119.39 24.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -59.06 -42.39 90.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.438 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.66 -46.54 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.743 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 tt -142.2 135.44 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.027 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -86.13 153.46 56.93 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.201 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.38 -35.68 85.09 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.376 2.05 . . . . 0.0 112.214 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -58.73 -37.7 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.496 ' C ' ' NE2' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -61.32 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.52 -44.34 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.43 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.3 92.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.774 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.72 97.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.664 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.6 mt -65.28 -38.98 91.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.719 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.22 -27.31 67.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -49.5 -32.14 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.49 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.74 34.52 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 59.5 21.91 10.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.789 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.48 177.67 5.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.19 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -135.33 69.97 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.271 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.34 142.94 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.275 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -141.68 131.12 23.76 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 85' ' ' ARG . 7.9 t -80.49 111.45 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 84' ' ' VAL . 60.9 ttp180 56.32 155.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.57 165.89 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.184 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.71 132.41 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.45 99.35 0.18 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.32 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.9 p 45.07 57.71 4.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.706 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 26.0 p -79.19 153.93 29.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CG ' ' O ' ' A' ' 91' ' ' SER . 67.9 m-85 -156.78 160.42 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -140.67 137.03 33.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -94.0 101.61 13.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -90.25 120.74 31.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.251 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.9 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.749 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.9 mm? -62.99 -41.56 99.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -140.04 151.99 45.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -84.43 179.42 7.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -91.87 3.27 55.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.01 -23.13 61.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.8 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.52 -38.63 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.414 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.93 106.33 17.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -64.88 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.788 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.78 126.45 26.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.492 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.94 -44.64 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.22 133.47 52.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 pttm -172.36 146.18 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 4.0 mm? 51.85 -171.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -113.15 108.92 17.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.631 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 58.8 mttp -81.73 140.26 34.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.114 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.456 ' OG ' ' CE1' ' A' ' 21' ' ' PHE . 3.1 t -141.39 147.34 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.74 135.05 49.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' OG ' ' A' ' 19' ' ' SER . 64.3 m-85 -125.23 130.86 52.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -98.76 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.209 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.44 114.76 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.6 mt -102.22 -9.23 20.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.34 35.3 5.11 Favored Glycine 0 N--CA 1.464 0.539 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -89.85 134.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -131.87 145.44 51.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.408 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 6.9 p 43.67 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.212 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.3 m -129.11 -6.05 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.24 -9.57 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 16.4 pt-20 -90.12 9.48 28.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.591 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 6.6 t -57.21 -42.89 98.47 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.169 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.5 Cg_exo -59.34 -34.88 97.73 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.687 2.258 . . . . 0.0 111.678 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.78 -43.16 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.467 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.88 -47.78 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.467 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -32.1 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -62.98 -39.1 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.62 -44.75 99.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.57 -40.14 96.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.275 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -56.34 -40.31 74.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.71 -40.46 95.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.548 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.0 149.15 51.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -105.11 146.61 28.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 -22.81 34.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 m -70.86 131.0 34.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.469 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -95.67 -49.68 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.06 164.4 35.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -157.28 161.6 39.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -146.34 118.71 8.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.6 t -89.36 121.91 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.5 mt -109.48 102.2 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.73 -40.77 4.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.46 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -54.05 -34.51 77.89 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.54 2.16 . . . . 0.0 112.13 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 t -108.74 2.35 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.502 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 52.16 21.47 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -106.12 139.12 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.65 130.39 67.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.32 129.86 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.51 133.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.462 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.0 t -104.05 123.44 57.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.999 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -153.27 166.07 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.632 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -90.13 120.63 31.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.093 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -56.72 -37.82 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.735 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 4.0 mm? -61.58 -50.92 70.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.922 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.78 -45.02 72.41 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.2 tt -148.6 133.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.608 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.02 162.37 30.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.79 -34.96 92.74 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.577 2.185 . . . . 0.0 112.349 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -56.59 -39.74 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.7 -43.28 97.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.523 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.47 -44.06 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.7 95.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -63.49 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.05 96.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.24 -39.06 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -61.23 -38.9 88.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.521 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.05 -37.75 64.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.57 13.76 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.627 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 57.4 21.92 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.9 -16.77 54.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 55.85 107.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.563 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.3 148.4 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -151.74 148.3 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.03 135.15 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -40.69 121.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.773 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 p -140.07 150.37 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.127 0.489 . . . . 0.0 110.348 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 27.9 p30 -63.39 144.29 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.413 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.4 173.98 44.93 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -129.5 134.2 47.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 p -136.11 158.79 43.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 92' ' ' PHE . 46.9 t -144.88 137.8 26.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.389 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 91' ' ' SER . 79.1 m-85 40.57 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.486 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -139.9 109.05 6.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.03 -40.59 98.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.574 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.27 149.17 50.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.432 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 96' ' ' TRP . 73.5 t-105 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.8 mm? -82.35 137.47 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.467 ' NE2' ' OE1' ' A' ' 7' ' ' GLU . 29.3 mm100 -70.02 124.59 24.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.292 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 7' ' ' GLU . 64.3 t30 -141.02 106.32 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.33 7.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.5 mt-10 -64.84 -19.13 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.26 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.47 -36.27 83.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -152.17 104.64 2.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -64.13 -47.28 80.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -145.52 149.82 35.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.655 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 14' ' ' LYS . 14.1 p -65.68 -29.96 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.593 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' LYS . 28.1 tptp 57.15 115.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.433 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' LYS . 54.8 tttt 52.66 170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.5 mm? 53.42 167.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -145.44 108.44 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -78.53 136.31 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.023 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 t -141.21 144.45 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.227 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -106.27 136.44 45.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.098 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 27.3 m-85 -122.99 135.83 54.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -108.6 107.42 17.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -98.42 96.62 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 26' ' ' ILE . 56.2 tp -64.05 -41.66 97.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.33 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.47 36.95 0.34 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.548 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.5 tt -89.64 131.61 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.278 . . . . 0.0 110.445 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.9 t -116.59 128.84 55.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 40.13 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.665 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 29' ' ' THR . 55.5 m -111.68 -3.74 14.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.469 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 57.7 p -76.18 -7.34 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.65 8.67 33.16 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.402 0.439 . . . . 0.0 110.176 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 15.7 t -62.49 -41.71 75.17 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.3 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 36.4 Cg_exo -59.08 -44.63 33.17 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.685 2.257 . . . . 0.0 111.836 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.49 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.68 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.46 -44.75 99.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.21 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.54 -33.82 75.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.33 -39.16 89.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.752 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.433 ' O ' ' OG ' ' A' ' 41' ' ' SER . 97.2 mt -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.1 -38.98 93.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.414 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.82 -40.98 85.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 92.2 p -62.65 -32.71 73.81 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.543 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -73.6 146.0 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -103.54 142.85 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.204 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 -16.67 45.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.84 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.361 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -98.2 -53.49 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -153.15 159.26 42.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.762 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -160.89 162.53 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 t -150.58 136.89 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.4 115.56 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.019 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -109.15 100.11 10.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.631 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.34 -39.59 3.18 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.767 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -53.6 -36.25 80.2 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.478 2.119 . . . . 0.0 112.345 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.5 t -106.52 -0.75 23.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 53.38 43.46 31.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.7 m -134.03 147.39 50.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.7 t -120.22 130.52 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.8 tt -116.04 129.7 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.118 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.27 138.22 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.44 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.41 125.84 68.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -153.41 163.52 39.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.608 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -86.06 115.47 23.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -53.9 -20.49 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.612 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.66 -43.31 94.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 tt -145.48 139.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.12 162.19 22.93 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.46 -35.24 96.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.459 2.106 . . . . 0.0 112.273 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.87 -41.24 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.32 -42.39 96.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.37 -44.55 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.38 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.31 -38.3 90.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.08 -40.14 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -60.51 -27.07 67.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.637 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 79' ' ' ARG . 96.7 mt-10 -49.36 -38.2 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.14 22.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.529 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 77' ' ' GLU . 13.2 tpp180 70.36 25.59 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.55 179.16 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.065 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 79.5 mm-40 -136.06 73.93 1.48 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.183 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.71 138.39 52.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.103 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 81' ' ' GLU . 18.1 m-80 -132.4 134.38 45.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.24 106.9 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 39.89 87.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.99 133.73 30.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -150.53 78.95 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.07 164.54 53.73 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.02 127.76 33.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.568 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 p -85.3 -68.06 0.76 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.8 p -161.03 162.21 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 51.5 p90 -146.37 134.92 22.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.379 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -77.68 -74.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.95 91.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.606 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -63.29 -42.19 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.469 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 tp 39.48 71.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -172.91 80.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.212 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -142.64 -3.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.332 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -66.64 -35.47 80.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.77 -34.88 76.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.89 -39.8 94.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' LYS . 80.3 mm-40 -69.14 -26.18 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.623 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' GLU . 18.1 ptpt 38.77 -161.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.5 -42.75 86.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.491 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? 56.62 105.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.242 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.67 160.12 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.321 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -152.13 -81.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -146.62 16.01 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.625 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -76.23 149.44 37.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -107.87 108.62 19.87 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.3 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -90.82 139.16 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.262 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.6 m -137.26 149.37 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.075 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -105.51 124.58 49.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 20.5 m-85 -107.07 118.0 35.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.1 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 59.8 t0 -85.87 104.92 15.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.21 113.67 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.533 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 3.8 mm? -93.45 -10.06 36.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.08 31.79 7.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -87.08 128.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.0 t -113.13 130.85 56.05 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.498 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' OG ' ' A' ' 30' ' ' SER . 13.9 p 39.72 -158.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.588 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -6.29 11.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.248 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.488 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 67.0 p -69.63 -12.62 61.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.75 -4.16 59.09 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -49.28 -56.71 14.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -54.37 -39.73 86.0 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.124 1.883 . . . . 0.0 112.268 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.8 -43.3 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.464 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.48 -44.49 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.277 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.92 -33.87 76.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.937 0.398 . . . . 0.0 110.701 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.2 t-20 -62.29 -39.25 92.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.426 ' O ' ' OG ' ' A' ' 41' ' ' SER . 5.5 mm -62.99 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.594 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 mp -64.32 -37.76 88.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 0.0 110.14 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.68 -41.14 81.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.505 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 93.8 p -63.17 -33.91 76.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.34 148.31 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 50.8 p30 -104.86 150.3 24.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.32 -21.24 47.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.05 133.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.39 . . . . 0.0 110.333 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -95.0 -54.06 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -157.65 162.81 38.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -158.35 162.49 37.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -146.71 134.53 21.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 t -100.0 116.5 43.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.1 mt -111.72 99.54 8.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.643 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -74.63 -39.41 3.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.576 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 42.8 Cg_exo -56.26 -28.81 73.38 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.444 2.096 . . . . 0.0 112.296 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 55' ' ' ARG . 56.6 p -118.16 16.51 14.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.701 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.4 ptm180 34.4 41.63 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.313 0.383 . . . . 0.0 111.001 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -125.44 136.44 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.25 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.2 t -114.87 131.8 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.9 tt -125.83 131.54 71.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.192 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.66 135.23 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.529 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.53 128.18 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.611 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' ND1' ' O ' ' A' ' 66' ' ' ILE . 14.8 p80 -158.24 161.67 37.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -88.68 118.1 28.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.087 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -53.34 -37.24 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.36 -53.02 61.98 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.89 -43.92 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.621 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.405 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 19.7 tt -150.26 131.4 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 163.01 36.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.53 -34.05 94.2 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.469 2.113 . . . . 0.0 112.038 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -57.16 -42.66 81.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.72 -43.33 90.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.304 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.413 HG23 HD13 ' A' ' 71' ' ' ILE . 97.0 mt -64.85 -44.22 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.557 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.09 -45.27 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -62.04 -40.46 95.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.636 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.63 87.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.88 -37.26 85.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 49.1 m-80 -59.83 -38.74 82.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.341 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.41 -33.48 54.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.19 -7.56 59.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.0 110.611 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.0 46.43 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.7 mp -105.01 10.44 34.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.215 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 44.8 65.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.241 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.65 147.13 25.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.437 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -158.55 136.01 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.412 179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t -54.31 147.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -39.69 119.2 0.94 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.8 t -93.12 116.53 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -150.27 98.6 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.64 156.75 7.47 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -159.13 108.08 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.672 0.272 . . . . 0.0 110.29 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.7 m -125.56 129.46 49.75 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -155.42 159.57 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -156.33 138.62 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -153.01 136.43 15.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 96' ' ' TRP . 66.5 t30 -170.76 92.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.18 -41.64 98.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.489 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 3.8 m-90 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.49 124.59 50.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -120.55 12.67 11.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 7' ' ' GLU . 29.1 t-20 -45.24 -86.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.582 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 55.08 9.4 0.32 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.6 mt-10 -69.14 -34.58 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.73 -34.24 76.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.0 -44.96 91.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -87.89 48.7 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.724 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 63.7 pttt -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.606 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 11' ' ' LYS . 63.4 tttm 58.59 122.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -87.7 171.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.657 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 56.6 75.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -148.54 161.97 40.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.4 mt 59.16 -172.27 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -108.95 117.99 35.64 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.857 0.36 . . . . 0.0 110.392 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 99.96 11.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.801 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -92.26 151.23 20.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.141 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.14 132.5 50.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.018 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 24.2 m-85 -119.52 129.61 54.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.995 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -99.49 114.34 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -100.08 111.01 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.199 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.2 mt -94.89 -6.88 41.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.94 28.27 13.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -85.13 130.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.301 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 2.8 t -116.07 130.57 56.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 41.91 -168.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.814 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 p -102.39 -9.61 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.193 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -65.85 -17.3 64.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.47 -2.21 58.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.496 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -53.24 -56.68 21.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 28.0 Cg_endo -59.18 -31.9 96.15 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.076 1.851 . . . . 0.0 112.224 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.3 -43.53 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.32 -43.65 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.22 -32.84 73.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -61.15 -39.88 91.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.437 ' O ' ' OG ' ' A' ' 41' ' ' SER . 34.7 mm -62.83 -45.65 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.546 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.32 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.63 -41.07 80.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 87.8 p -64.09 -33.26 75.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.94 146.31 41.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.643 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 53.1 t0 -101.68 151.3 22.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.258 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 99.52 -24.42 32.28 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.8 m -68.14 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.443 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -99.77 -55.29 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.16 161.72 42.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -158.69 159.73 35.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -143.21 133.99 25.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -100.25 113.72 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.3 mt -108.5 100.21 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.633 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -39.77 3.41 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.3 Cg_exo -54.63 -34.54 83.67 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.543 2.162 . . . . 0.0 112.185 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 t -108.1 2.28 22.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 48.61 38.21 10.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -125.77 131.98 52.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.361 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.59 129.07 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.137 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.79 132.19 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.381 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -142.72 134.26 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 t -103.87 124.51 58.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.618 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -155.13 156.54 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -80.66 119.33 23.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.226 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -57.02 -30.03 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.7 -53.23 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.784 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.1 -43.99 85.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.014 0.435 . . . . 0.0 110.815 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.3 tt -148.25 135.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.146 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 162.12 28.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.774 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.38 -33.76 86.64 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.499 2.132 . . . . 0.0 112.292 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.84 -42.3 79.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.708 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.68 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.618 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.53 -38.85 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.74 -45.21 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.52 -39.25 93.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.45 -39.47 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.35 -39.05 89.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.63 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.11 4.5 19.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 61.28 47.09 7.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.459 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 81' ' ' GLU . 4.3 mm? -100.8 -3.13 30.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.542 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' LEU . 78.3 tt0 42.53 94.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.945 0.403 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.87 158.2 43.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -150.18 168.93 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.333 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 85' ' ' ARG . 16.2 t -92.31 111.82 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.538 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' O ' ' O ' ' A' ' 84' ' ' VAL . 79.1 ttt-85 57.56 133.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.621 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 p -143.97 143.6 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 88' ' ' GLY . 20.5 p30 -63.02 -40.3 97.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.215 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . 71.55 159.71 3.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -164.95 113.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.777 0.323 . . . . 0.0 110.251 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.5 p -83.26 162.19 21.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -161.21 161.98 31.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -148.27 153.26 38.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.364 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -85.48 -78.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -166.3 135.46 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.5 132.55 47.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.524 ' OXT' ' CD1' ' A' ' 96' ' ' TRP . 76.8 t-105 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.644 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.27 -42.79 99.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.475 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 49.84 86.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -64.53 -36.94 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -62.2 -38.74 90.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.389 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.67 -40.04 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.436 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -38.95 84.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.89 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -83.55 123.35 29.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.45 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.54 -44.67 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.676 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.7 tttp 40.45 61.87 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 14' ' ' LYS . 33.3 m -61.64 -42.94 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.568 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 13' ' ' VAL . 46.9 tttp 53.57 167.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -60.79 -40.63 93.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.352 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.6 mm? -80.88 137.06 36.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -108.1 108.87 20.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.04 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -97.17 115.36 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.198 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -110.57 151.14 27.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -101.99 123.73 46.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.135 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 38.6 m-85 -107.2 125.72 51.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -86.76 109.35 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.58 111.32 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 9.5 mp -94.26 -22.75 18.19 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.13 21.72 7.86 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -87.19 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.377 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -120.58 135.4 55.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.794 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 29' ' ' THR . 14.3 p 38.99 -139.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.604 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -133.32 -4.48 3.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 110.733 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.491 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 85.1 p -64.17 -19.15 65.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.65 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.577 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 55.1 mp0 -87.6 4.26 44.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.528 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -50.52 -56.63 17.33 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.679 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.6 Cg_endo -58.53 -32.43 96.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.193 1.929 . . . . 0.0 112.033 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mm -68.08 -43.16 85.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.406 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.98 -44.18 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.459 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -61.68 -39.01 89.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' A' ' 41' ' ' SER . 97.1 mt -63.0 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.67 -38.72 91.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.746 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -57.83 -34.81 70.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 79.2 p -58.01 -24.36 57.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.403 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.1 mt -80.73 -164.95 0.79 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 43' ' ' ASP . 22.5 p-10 -143.95 -53.88 0.35 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.39 -16.34 2.26 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.9 m -74.53 131.56 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -100.15 -52.32 3.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 160.42 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -159.76 162.02 34.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 t -144.98 137.41 26.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.433 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -97.03 116.46 39.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.151 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -111.28 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.383 0.611 . . . . 0.0 110.147 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.678 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.17 -34.94 1.77 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.059 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.3 Cg_exo -55.33 -37.26 94.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.124 1.883 . . . . 0.0 112.098 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.9 p -110.67 2.11 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.597 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 55.56 52.82 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.7 m -136.99 152.77 50.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.9 133.59 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.4 131.48 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.359 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.89 134.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.456 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.03 125.27 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -150.37 161.09 43.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -88.22 119.59 28.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.108 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -53.8 -23.78 13.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.25 -54.97 6.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.8 tt -146.1 149.1 16.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.425 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.69 162.3 20.13 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.22 -33.41 95.93 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.524 2.149 . . . . 0.0 112.125 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.44 -40.42 91.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.2 -40.71 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.21 -44.29 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.48 91.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.582 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -63.27 -40.64 97.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.73 91.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.377 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.63 -37.73 87.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.52 -38.44 87.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.575 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.0 -37.94 75.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.518 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.61 -1.35 37.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 63.23 40.1 9.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.274 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 81' ' ' GLU . 9.2 mp -102.05 -3.14 28.11 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 80' ' ' LEU . 96.6 mt-10 56.78 123.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.452 0.47 . . . . 0.0 110.342 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.44 137.49 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 110.362 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.44 127.4 29.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.35 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' ARG . 99.1 t -69.18 151.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.816 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' VAL . 6.0 mtm180 -32.31 105.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.643 0.589 . . . . 0.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 32.6 m -83.81 154.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 55.45 34.52 23.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.38 134.33 6.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -162.13 121.52 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.419 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 m -65.02 -71.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 t 51.38 86.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -99.32 118.39 35.87 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -84.29 130.38 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -89.03 109.01 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.486 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -94.94 143.51 26.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.395 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 91.5 t90 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.372 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.8 mm? 42.97 89.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.66 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.526 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 1.2 pm0 -96.93 3.94 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.35 118.21 12.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.18 3.04 43.5 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.24 -39.06 91.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.472 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -65.55 -33.61 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -63.06 -33.66 75.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.69 130.2 45.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -64.16 -41.55 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 53.57 15.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.326 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t 43.16 69.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.23 -83.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -140.27 100.09 3.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.7 mt 40.4 -158.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -113.72 115.59 28.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.098 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.1 138.6 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -133.42 151.53 51.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -105.17 134.52 48.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.1 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 43.6 m-85 -120.97 132.66 55.06 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.044 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.8 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.09 88.18 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.38 -41.39 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.204 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 31.63 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.579 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.6 tp -89.35 130.05 39.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.248 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -132.6 141.29 48.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.914 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 7.6 p 43.78 -169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.59 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 p -122.11 -8.61 8.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.382 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.0 t -66.11 -20.91 66.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 12.7 pt-20 -91.04 9.66 29.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.39 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t -60.49 -42.4 88.38 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 31.3 Cg_exo -58.9 -33.91 98.85 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.652 2.235 . . . . 0.0 111.56 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.08 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.427 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.91 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.586 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -63.78 -34.48 78.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.19 -40.24 96.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.12 -44.43 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.52 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.418 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.93 -38.71 83.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.298 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.8 m -61.48 -36.18 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.694 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.76 148.13 46.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 55.3 p-10 -104.67 148.67 26.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.257 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.35 -21.9 41.12 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -72.11 130.37 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 0.0 110.402 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -93.64 -51.4 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.35 161.28 41.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -162.5 162.14 27.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -149.97 142.25 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.09 118.41 45.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.3 mt -109.67 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.23 0.538 . . . . 0.0 110.104 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.674 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.47 -34.39 1.58 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.953 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 43.0 Cg_exo -55.29 -37.86 94.18 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.086 1.857 . . . . 0.0 112.354 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.7 p -111.78 3.54 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.564 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.46 52.78 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.678 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.1 m -135.43 155.63 50.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.6 t -128.0 133.23 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.7 129.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.269 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.12 136.99 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.35 125.39 63.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -156.08 159.93 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.487 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -86.34 117.54 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 t -54.5 -22.89 14.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.64 -55.17 6.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.555 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.04 -42.93 93.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 tt -148.38 133.81 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.02 162.22 31.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.09 -34.34 92.48 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.626 2.217 . . . . 0.0 112.183 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -56.79 -40.25 75.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -64.09 -42.89 96.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 71' ' ' ILE . 97.3 mt -64.03 -44.76 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -67.44 -39.81 85.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -64.27 -38.56 91.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.03 92.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.03 -39.14 89.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 69.6 m-80 -61.45 -34.76 75.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 79' ' ' ARG . 81.1 mm-40 -48.68 -38.05 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.613 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 15.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' H ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 70.88 33.02 2.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.37 -168.8 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -144.55 74.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.384 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.3 155.73 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.259 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -151.62 140.57 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.246 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 85' ' ' ARG . 6.8 t -88.99 110.16 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 0.0 110.235 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' VAL . 11.0 tpp85 39.31 92.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.83 132.79 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.454 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -138.64 115.16 10.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.86 12.88 59.28 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.03 -39.1 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 110.608 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.1 p -107.32 126.69 52.77 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.348 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 m -153.56 152.82 31.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.75 156.06 35.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 94' ' ' ASN . 25.7 pttm -167.42 -165.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 94' ' ' ASN . 4.7 p-10 43.92 48.07 7.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.639 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 4' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 9.8 mp 56.01 -75.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.675 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 2' ' ' ALA . 78.9 mt-30 53.11 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 6.4 p30 -68.09 90.93 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -83.49 -12.87 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 10' ' ' LYS . 96.9 mt-10 -62.15 -18.02 59.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.536 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.95 -31.95 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.61 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 7' ' ' GLU . 17.3 tptm -118.86 124.92 48.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 12' ' ' LYS . 40.1 mmtm -64.09 -44.18 93.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 11' ' ' LYS . 56.8 tttp 45.28 98.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 129.69 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -157.7 148.17 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 16' ' ' LEU . 46.5 tttp 39.89 -131.76 0.28 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.4 mm? 53.76 167.75 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.629 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -141.02 114.18 8.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -81.86 137.22 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -137.72 142.68 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.39 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.99 135.47 44.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.283 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 m-85 -120.83 131.48 54.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.43 . . . . 0.0 110.212 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -90.33 117.12 28.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 m -111.78 127.17 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.214 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 26' ' ' ILE . 56.4 tp -114.61 -28.42 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.685 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.33 12.69 9.23 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' LEU . 16.4 tt -89.46 131.19 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 30.0 p -132.09 137.81 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.441 ' SG ' ' C ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 58.65 165.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.427 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.7 t -98.47 0.6 45.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.9 t -74.95 -12.47 60.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 56.0 mp0 -91.68 9.23 33.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.686 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.63 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 41.5 t -62.03 -41.37 75.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.0 Cg_exo -61.16 -42.68 34.04 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.847 2.365 . . . . 0.0 111.817 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.34 -43.31 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.255 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.0 -44.77 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.256 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.14 -33.19 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -63.99 -37.38 87.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.25 -45.25 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.88 -38.86 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.507 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -57.79 -37.97 74.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.223 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -61.82 -39.61 92.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.404 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.15 144.93 53.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 43.1 p-10 -104.84 112.56 25.72 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -20.76 2.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -72.07 131.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.551 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.98 -47.92 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.49 159.7 41.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -162.4 161.25 27.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 t -147.96 134.31 19.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.45 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 t -100.16 116.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.1 mt -115.21 100.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 109.986 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.65 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.94 -39.56 3.42 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 178.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.1 Cg_exo -55.2 -33.13 83.32 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.739 2.293 . . . . 0.0 111.808 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.1 t -108.82 1.09 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.394 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 49.39 39.29 16.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.2 m -125.48 139.78 53.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.75 131.12 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 tt -124.42 130.44 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.594 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.07 134.54 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.561 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.46 128.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.314 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -155.79 158.63 38.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.75 116.18 18.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.415 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -58.05 -41.91 84.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.47 -48.79 78.07 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.987 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.38 -46.87 72.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 110.486 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 tt -142.08 136.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.399 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.14 159.8 47.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.43 -27.27 62.61 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.731 2.287 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.28 -36.87 83.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.362 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.88 -38.63 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.41 -43.84 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.341 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.11 98.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.91 -39.97 96.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.94 89.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.428 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.39 -39.69 88.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.426 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -54.41 -38.79 66.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.42 4.4 18.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 60.02 40.66 18.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 110.277 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 81' ' ' GLU . 4.1 tp -97.18 -2.8 42.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' LEU . 36.8 tp10 49.86 101.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.449 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.01 149.48 40.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -149.83 139.6 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.73 139.81 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -44.14 141.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.1 m -114.48 135.75 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.504 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -54.19 118.14 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.49 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.4 -133.26 3.29 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 56.98 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -133.38 159.11 41.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -148.5 148.58 30.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.469 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -89.24 120.43 30.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -161.55 22.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -61.87 -40.57 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -70.56 133.98 47.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 89.8 t90 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.528 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.6 mm? -80.37 138.85 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -82.48 173.8 11.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' C ' ' H ' ' A' ' 7' ' ' GLU . 16.0 t-20 57.03 49.47 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -52.21 -9.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.503 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.0 mt-10 -55.02 -17.27 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -62.05 -37.64 85.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -76.62 71.01 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.622 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.48 119.63 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.2 m -140.13 160.32 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.11 139.21 41.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.462 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.68 143.13 26.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -93.22 -137.4 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.281 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -103.72 121.66 43.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -98.64 140.81 32.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -147.87 151.75 36.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.27 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -89.66 129.92 36.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.403 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 84.3 m-85 -120.36 104.71 10.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.03 137.82 40.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.083 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 m -127.22 131.29 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.561 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -105.66 -29.41 10.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.99 29.77 2.7 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 tp -85.19 131.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.611 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.8 t -130.27 129.88 43.85 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.174 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 15.7 p 39.98 -163.54 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.971 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.47 -4.01 15.76 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.13 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -76.73 -10.21 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.39 6.01 47.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.35 179.539 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 79.4 t -63.87 -38.48 37.11 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 30.8 Cg_exo -62.68 -38.53 49.43 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -65.38 -44.64 94.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.98 -43.69 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.532 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.07 -32.06 73.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.756 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -62.45 -40.14 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.868 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.413 ' O ' ' OG ' ' A' ' 41' ' ' SER . 39.6 mm -62.03 -47.41 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.765 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.21 -37.95 87.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.287 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.41 -41.69 85.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.204 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 97.8 p -65.16 -32.62 74.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.37 150.34 38.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -107.59 146.46 31.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.3 -20.69 39.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 m -72.83 130.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.377 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -97.61 -54.3 3.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.22 159.52 44.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.132 0.491 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -157.85 160.91 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t -146.5 133.3 20.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.165 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -101.27 112.18 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt -108.41 100.14 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -74.44 -39.56 3.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.622 179.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.9 -33.91 73.92 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.229 1.953 . . . . 0.0 112.069 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -109.93 3.41 20.51 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 48.62 39.64 13.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.714 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.7 m -127.35 134.53 49.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.09 129.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -118.58 130.36 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.145 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' A' ' 21' ' ' PHE . 3.8 p -140.94 137.99 34.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.897 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.8 t -108.82 127.29 65.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -156.64 159.53 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.554 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.15 120.94 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.402 . . . . 0.0 110.163 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -59.36 -42.46 91.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 3.9 mm? -61.91 -46.52 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tt -68.52 -46.74 68.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.562 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.73 135.7 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.153 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.484 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . 70.2 m -76.92 148.41 78.86 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.313 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.94 -48.89 17.48 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.753 1.635 . . . . 0.0 112.74 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.484 ' CE2' ' CB ' ' A' ' 67' ' ' SER . 14.4 p90 -55.58 -29.7 59.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -56.72 -40.77 76.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.245 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.73 -43.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.81 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.93 -41.33 99.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.12 98.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.33 -39.84 92.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.838 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' A' ' 79' ' ' ARG . 65.8 mm-40 -54.96 -39.16 68.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.483 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.28 30.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' A' ' 77' ' ' GLU . 5.2 mmp_? 55.15 27.15 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 tt -118.48 98.95 6.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.946 0.403 . . . . 0.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -54.52 126.84 25.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.571 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.7 147.27 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.392 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.495 HD21 ' C ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -154.77 168.3 27.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.39 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 85' ' ' ARG . 9.0 t -95.09 103.61 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.447 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 84' ' ' VAL . 41.3 ttm180 57.56 133.74 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.47 123.7 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.331 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -64.66 -40.49 95.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.462 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.72 153.98 26.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -92.59 116.01 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.481 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' SER . 15.3 t -65.28 -40.94 94.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' THR . 2.8 m 60.51 146.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -148.73 154.56 39.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 52.88 86.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.475 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -94.47 11.51 30.5 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.43 -40.39 96.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.379 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.425 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.97 -43.21 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.84 133.1 46.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.359 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 7' ' ' GLU . 18.2 t-20 -138.47 112.71 8.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp 51.95 9.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 5' ' ' ASN . 42.6 tp10 -66.96 -37.93 85.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.294 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -65.57 -34.67 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.323 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -64.48 -36.28 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.467 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.83 59.78 2.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 32.7 tptt -64.09 -34.76 78.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.486 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 37.0 tttt 77.49 -153.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.25 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.3 135.23 54.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -151.95 141.9 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.251 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' CG ' ' H ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -96.87 -110.13 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' H ' ' CG ' ' A' ' 15' ' ' LYS . 12.0 mt 53.36 -168.31 0.06 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.016 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -123.36 114.95 20.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.391 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -82.92 103.86 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.996 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.465 ' OG ' ' CZ ' ' A' ' 21' ' ' PHE . 10.4 t -100.66 139.02 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.385 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -103.74 133.65 48.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.804 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CZ ' ' OG ' ' A' ' 19' ' ' SER . 32.5 m-85 -122.67 134.02 54.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.168 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.82 107.3 18.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -93.59 91.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.53 -39.73 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.47 44.49 1.43 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.3 tp -89.73 129.6 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.243 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 t -125.81 129.61 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.0 p 40.66 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.678 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -7.25 15.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.173 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -68.54 -15.52 63.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.3 -5.03 59.21 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -55.45 -57.08 22.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 14.9 Cg_endo -53.9 -37.53 85.53 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.357 2.038 . . . . 0.0 112.235 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.8 mp -65.13 -43.55 95.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.4 HG23 HD11 ' A' ' 35' ' ' ILE . 95.6 mt -62.65 -44.64 99.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.08 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -63.56 -39.17 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.23 -44.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.52 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.274 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -58.07 -40.96 82.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 t -62.07 -41.23 97.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.74 146.14 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -103.8 148.08 26.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -23.28 34.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -66.51 132.19 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -98.76 -55.72 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.89 158.58 43.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.464 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -157.73 162.74 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.759 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -145.36 132.39 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -100.85 114.48 40.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.187 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.4 mt -111.32 97.9 6.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -74.17 -38.99 3.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.534 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 36.0 Cg_exo -56.52 -29.92 80.45 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.731 2.287 . . . . 0.0 112.157 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -112.35 0.99 15.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 50.46 34.74 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.4 m -121.19 134.68 55.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.56 131.78 66.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.909 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 tt -125.33 130.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.483 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.99 131.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.45 125.84 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -153.68 157.83 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -82.69 117.04 22.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.058 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -52.55 -36.75 56.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.186 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 tp -63.09 -51.7 65.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.59 -45.01 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.012 0.434 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.437 ' CD1' ' OE1' ' A' ' 70' ' ' GLN . 15.9 tt -147.23 138.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.677 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 160.67 39.57 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.34 -29.16 63.3 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.849 2.366 . . . . 0.0 111.715 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.05 -43.12 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.437 ' OE1' ' CD1' ' A' ' 66' ' ' ILE . 46.9 tt0 -63.6 -42.48 98.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.658 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.29 -44.57 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.22 89.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.53 -41.16 98.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.61 83.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.32 -42.52 96.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.43 -39.13 93.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.716 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 79' ' ' ARG . 66.0 mm-40 -51.68 -34.52 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.481 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.07 35.1 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.494 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' H ' ' C ' ' A' ' 77' ' ' GLU . 89.7 mtm180 55.66 21.54 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.782 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.53 -174.32 2.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.302 0.573 . . . . 0.0 109.883 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -138.67 117.18 12.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.366 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.95 157.39 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -153.38 160.26 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 85' ' ' ARG . 16.3 t -87.58 110.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 84' ' ' VAL . 36.5 ttm180 56.53 155.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.374 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.49 130.86 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.401 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -67.08 117.96 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 171.05 117.88 0.44 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.96 -169.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -77.47 168.76 19.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.52 ' OG ' ' CD2' ' A' ' 92' ' ' PHE . 54.3 p -150.3 -149.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD2' ' OG ' ' A' ' 91' ' ' SER . 94.5 m-85 54.31 103.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.14 138.66 38.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.53 -40.76 97.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 tttp 57.73 63.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.529 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -63.37 -47.96 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.31 0.576 . . . . 0.0 110.428 -179.174 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 42.69 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.425 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' LEU . 7.3 p30 -161.55 83.52 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -81.82 -9.41 59.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.61 -36.37 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.99 -36.05 81.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' VAL . 98.7 mttt -75.45 -12.79 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.83 -35.09 77.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.7 -40.19 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' LYS . 72.3 t -99.68 130.56 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -137.42 133.8 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 16' ' ' LEU . 98.6 mttt -142.26 -99.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.5 mm? 45.74 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.441 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -127.82 111.37 13.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.233 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -79.47 137.66 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.324 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -147.5 144.03 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.275 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -104.84 130.12 53.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -113.42 116.86 30.3 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.401 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.0 108.74 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.05 129.94 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.182 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.27 -1.33 28.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.435 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.65 19.18 38.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 tt -83.54 130.63 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.353 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.8 t -113.1 130.8 56.06 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.9 p 40.47 -164.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.636 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.1 m -108.78 -11.79 15.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.462 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.479 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 59.8 p -66.92 -14.47 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.12 -5.15 59.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -48.92 -56.7 13.99 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.026 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 16.7 Cg_endo -54.88 -42.08 72.35 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.618 2.212 . . . . 0.0 111.888 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG21 HD13 ' A' ' 34' ' ' ILE . 97.0 mt -64.5 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.421 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.85 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.24 -34.29 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.452 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.62 -38.84 86.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.53 -44.27 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.569 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.71 -38.75 75.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.86 147.39 52.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.257 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 40.4 p-10 -106.85 111.99 24.76 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.94 -15.89 2.82 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 m -78.41 132.03 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -100.45 -47.43 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.67 157.37 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -158.4 160.28 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 p -146.87 128.36 15.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.08 109.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -108.28 102.04 13.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.0 110.095 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.62 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.49 -41.1 4.59 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.305 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.53 -32.39 63.27 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -110.04 1.38 18.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.454 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 48.91 37.43 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.6 m -127.51 134.21 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.29 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.79 131.37 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 pt -124.09 136.37 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.96 136.53 26.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.453 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.93 126.24 59.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -153.01 162.64 41.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.689 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -81.25 118.71 22.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 t -60.67 -42.64 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.809 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.52 -47.03 85.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.828 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.412 0.625 . . . . 0.0 110.44 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.0 tt -143.34 137.13 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 p -89.96 155.22 47.56 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.85 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.22 -34.58 79.81 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.531 2.154 . . . . 0.0 112.332 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -56.42 -38.09 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.625 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.66 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -44.4 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -66.53 -40.98 89.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.728 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.19 -43.79 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.44 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.23 81.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.07 -41.45 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ALA . 81.0 m-20 -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.761 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -49.68 -24.74 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.27 31.65 0.45 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 58.28 27.95 15.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.53 -173.55 2.33 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.067 0.461 . . . . 0.0 109.99 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -135.72 66.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.639 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . -89.06 147.27 24.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.539 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -150.04 169.23 21.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' ARG . 64.7 t -102.38 104.1 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 84' ' ' VAL . 79.0 ttt-85 57.84 141.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.598 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -100.82 128.83 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -65.42 -93.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.481 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.47 131.6 10.7 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -83.85 125.51 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.1 m -114.86 121.38 43.06 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.3 t -83.76 -116.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 40.6 57.71 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 94' ' ' ASN . 98.6 mttt -63.46 -40.8 98.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' LYS . 12.1 m120 50.73 176.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 94' ' ' ASN . 30.2 mmtp 47.08 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 26.8 p90 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.465 -179.693 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.58 144.2 41.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.562 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.84 135.6 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -140.59 14.26 2.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.62 -32.38 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -48.96 -20.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.17 -37.66 86.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.544 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.06 -25.35 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 60.71 80.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.18 -43.06 99.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 57.62 89.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.378 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p -127.53 133.84 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -107.4 43.24 1.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.346 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.41 71.45 1.1 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.465 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.8 mm? -86.54 134.92 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -108.15 108.18 19.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.31 141.48 35.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.198 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -148.85 157.27 43.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.61 127.28 53.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.214 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 41.5 m-85 -110.93 115.68 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -83.18 116.93 22.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.98 96.51 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 3.9 mm? -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 45.99 3.11 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 tp -88.44 130.17 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.243 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.7 t -131.83 131.38 42.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.0 p 39.93 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.508 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -8.52 14.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -63.62 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -88.11 4.26 46.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -59.63 -56.03 39.86 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 21.4 Cg_endo -58.67 -31.18 94.25 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.96 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -65.76 -44.92 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.36 -44.38 97.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.51 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -63.12 -38.9 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.33 -44.49 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.46 -39.17 93.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.27 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HZ2' ' CB ' ' A' ' 40' ' ' LYS . 5.7 ttpm? -57.52 -39.29 76.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.402 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.7 m -61.68 -33.66 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.16 146.26 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -109.18 111.38 22.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.53 -17.11 2.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.8 m -75.58 132.7 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -95.26 -48.46 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -156.39 157.6 35.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -158.31 159.69 36.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -143.36 134.41 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.9 t -101.81 116.34 45.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.5 mt -113.33 98.9 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.008 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.635 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.32 -39.67 4.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.451 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.4 Cg_exo -55.18 -31.13 74.55 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.542 2.162 . . . . 0.0 112.208 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.5 p -111.9 2.07 16.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 49.38 36.55 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.2 m -123.58 133.14 54.0 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.45 133.04 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.187 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.5 tt -125.1 130.6 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.7 132.9 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.638 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 t -105.19 123.43 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -149.62 163.24 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.408 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -85.27 118.43 24.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.02 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.6 p -56.49 -21.14 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.491 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.86 -55.05 5.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.2 -43.78 90.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -146.02 141.08 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.24 163.01 19.1 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.09 -36.48 96.34 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.15 -39.3 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.634 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.292 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.27 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -64.33 -38.24 90.35 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.81 97.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.609 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.54 -40.39 95.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.34 -24.85 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.567 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -53.26 -31.87 45.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.45 -0.83 54.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 54.83 48.75 19.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.596 ' CD2' ' H ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -113.68 8.39 17.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.413 -179.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 59.47 114.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.336 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.31 144.67 29.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.522 HD21 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -151.14 169.44 21.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.355 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 85' ' ' ARG . 11.2 t -94.64 119.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.211 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' VAL . 1.4 tmm_? 40.09 95.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.0 p -64.53 142.38 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -57.58 114.19 2.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.27 133.68 1.56 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -97.19 67.53 2.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.1 m -62.06 130.17 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.3 m -154.53 153.69 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -62.83 -41.84 99.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -100.88 139.05 37.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.39 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.15 142.97 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.486 ' O ' ' CG ' ' A' ' 96' ' ' TRP . 74.9 t-105 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.8 tp -109.05 125.44 52.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -102.48 129.71 49.08 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -63.93 -38.19 90.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.11 -40.92 91.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.09 -39.21 93.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.27 -35.09 79.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' LYS . 43.4 tp10 -65.43 -45.43 83.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' GLU . 86.0 tttt 57.81 119.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HZ1' ' CG1' ' A' ' 13' ' ' VAL . 64.1 tttm -62.51 -36.56 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.431 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 tptt 59.2 104.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.582 ' CG1' ' HZ1' ' A' ' 11' ' ' LYS . 27.6 m -134.48 134.58 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.423 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -107.11 62.73 0.62 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.79 164.51 30.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.17 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 54.54 175.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.36 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -115.87 110.24 18.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.344 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.26 131.31 37.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.097 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -134.75 150.02 50.51 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -114.63 128.84 56.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.555 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 7.7 m-85 -120.34 118.68 31.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.59 139.57 38.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.221 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.91 125.88 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.078 0.466 . . . . 0.0 110.255 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -107.7 -19.28 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.462 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.75 17.67 55.67 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tp -76.41 129.25 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.447 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -127.9 136.45 51.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 29' ' ' THR . 13.6 p 37.24 -143.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.686 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 t -130.56 -4.74 4.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.7 t -62.46 -19.24 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 54.6 mp0 -85.05 -7.1 59.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -45.99 -57.6 7.84 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 20.0 Cg_endo -56.56 -42.41 65.61 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.36 2.04 . . . . 0.0 112.435 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.04 -43.36 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.502 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.48 -44.95 99.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.49 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.67 -33.24 75.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 0.0 110.626 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.29 -38.75 92.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.756 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.67 -44.79 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.29 -39.36 93.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.8 -37.96 71.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.385 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 t -61.79 -39.97 93.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -69.34 139.53 54.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.547 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -100.54 110.82 23.01 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.536 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.01 -20.81 2.13 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 m -74.5 129.05 36.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 0.0 110.564 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -94.67 -48.0 6.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -155.06 158.29 38.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.653 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -158.69 158.75 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.864 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -144.19 133.42 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.8 t -100.7 115.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.221 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.405 HG21 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -115.2 101.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.89 0.376 . . . . 0.0 110.021 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.92 -40.45 3.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 179.401 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 52.0 Cg_exo -53.41 -36.1 78.01 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.488 2.125 . . . . 0.0 112.32 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' ARG . 10.6 t -111.21 17.25 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.759 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.0 ptp180 33.83 41.9 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.35 0.406 . . . . 0.0 111.105 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 54' ' ' SER . 56.9 m -126.25 132.42 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.273 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.5 t -120.03 129.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.699 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -123.87 142.84 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -149.48 138.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -106.26 127.48 61.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -154.94 162.4 41.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -85.6 118.24 24.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.13 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 t -59.36 -41.9 90.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.55 -49.18 77.7 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tt -66.65 -46.76 74.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.0 110.551 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.12 135.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 155.34 70.67 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.59 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.39 -27.54 71.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.855 2.37 . . . . 0.0 111.79 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -62.96 -37.06 85.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.92 -40.87 96.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.45 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.56 -44.27 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.69 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.55 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.01 -40.1 96.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.43 80.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.04 -39.23 90.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -62.46 -38.72 90.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -49.48 -33.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -82.7 42.07 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' ALA . 35.9 ptt180 41.68 23.6 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.638 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.499 ' CG ' ' H ' ' A' ' 81' ' ' GLU . 4.4 tp -88.68 -138.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.499 ' H ' ' CG ' ' A' ' 80' ' ' LEU . 40.4 tp10 -174.27 101.25 0.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.25 150.36 42.53 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.443 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.455 HD21 ' C ' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -154.44 157.94 39.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.552 179.73 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.58 146.12 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.398 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -39.51 155.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.59 148.46 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.486 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -64.85 -39.45 93.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.76 60.81 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -57.16 139.46 52.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.799 0.333 . . . . 0.0 110.439 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.4 p -102.84 -3.91 25.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.7 p -70.93 147.03 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -73.76 -25.88 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 tttp 55.95 100.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 95' ' ' LYS . 17.4 m120 -79.52 137.1 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 94' ' ' ASN . 16.6 mmmt 43.32 -168.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.775 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.408 ' CG ' ' OXT' ' A' ' 96' ' ' TRP . 77.1 t-105 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.468 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 9.5 mp 53.48 169.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -90.33 66.57 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 7' ' ' GLU . 97.9 m-20 -99.17 10.9 40.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.345 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 56.17 8.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 5' ' ' ASN . 95.2 mt-10 -74.9 -20.46 59.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -68.97 -17.35 63.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.492 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.4 -47.42 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -102.08 101.98 12.41 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.999 0.428 . . . . 0.0 110.426 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.42 -42.44 92.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.51 ' HZ3' ' HZ1' ' A' ' 15' ' ' LYS . 88.0 tttt -69.03 134.53 49.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.501 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -83.82 142.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.84 137.18 53.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' HZ1' ' HZ3' ' A' ' 12' ' ' LYS . 64.1 mttp -70.39 -145.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 15' ' ' LYS . 10.3 mp 54.97 111.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.336 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -111.77 117.75 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.977 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.73 137.82 37.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.205 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -149.77 152.61 35.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.226 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -111.82 128.69 56.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.302 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.78 106.77 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.151 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.94 117.39 24.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.39 131.25 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 110.279 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 26' ' ' ILE . 71.1 mt -105.04 -20.55 13.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.46 31.13 2.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' LEU . 20.7 tt -84.86 124.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.827 0.346 . . . . 0.0 110.431 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 28' ' ' CYS . 9.4 t -94.66 134.22 37.47 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 27' ' ' CYS . 14.3 p 34.69 -151.66 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.089 0.243 . . . . 0.0 111.251 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 47.6 p -130.43 -0.65 4.47 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.884 0.374 . . . . 0.0 110.462 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.41 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 89.1 p -76.32 -6.26 50.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' OE1' ' CA ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.14 0.97 42.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 t -41.75 -57.7 3.78 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.3 Cg_endo -57.2 -39.25 91.83 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.978 1.785 . . . . 0.0 112.132 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.426 HD13 HG22 ' A' ' 35' ' ' ILE . 97.2 mt -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.283 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.39 -32.8 73.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.378 . . . . 0.0 110.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.43 -39.25 93.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.971 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.61 -46.38 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.496 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -65.09 -38.9 92.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.346 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.35 -39.73 76.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 -40.97 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.615 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.92 144.31 56.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.66 149.15 23.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.409 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.03 -21.94 43.38 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.5 m -68.09 131.78 33.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.41 . . . . 0.0 110.281 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -97.36 -50.71 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -156.8 161.09 39.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -158.46 159.69 35.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -143.64 136.63 27.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.261 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.3 t -102.95 111.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.957 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' OG ' ' A' ' 54' ' ' SER . 55.1 mt -99.9 109.53 24.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.556 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.35 -43.37 4.32 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.359 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 49.1 Cg_endo -68.37 -16.2 43.19 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.839 1.692 . . . . 0.0 112.894 -177.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.506 ' HG ' ' H ' ' A' ' 56' ' ' THR . 24.4 p -117.53 2.25 12.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.857 0.36 . . . . 0.0 110.447 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 42.87 23.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.506 ' H ' ' HG ' ' A' ' 54' ' ' SER . 58.4 m -110.82 134.68 52.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.139 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -109.68 130.14 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.777 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.4 tt -119.76 131.61 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.27 134.01 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.384 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -103.64 120.31 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.757 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -149.96 154.2 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.506 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.63 125.94 31.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -58.43 -40.01 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.481 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.44 -52.48 65.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.89 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.17 -43.77 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.747 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.2 tt -149.88 133.23 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.224 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.36 161.94 35.75 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.1 -34.84 93.95 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.338 2.025 . . . . 0.0 112.297 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.03 -40.48 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.57 -44.77 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.41 -43.86 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.37 99.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.678 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.2 -39.83 94.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.725 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.83 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.834 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.21 -39.07 93.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 82' ' ' ALA . 3.2 m120 -59.83 -38.48 82.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.341 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.95 -33.85 67.44 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.97 33.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.12 18.64 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.34 98.17 7.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.132 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.58 90.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' H ' ' ND2' ' A' ' 76' ' ' ASN . . . -99.63 133.14 44.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.274 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -131.86 140.17 49.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.0 t -80.88 110.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 39.39 88.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.87 137.24 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.637 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -68.89 124.79 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.37 -17.06 65.22 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 90' ' ' THR . 95.7 mt-10 -60.83 -58.27 9.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.643 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.446 ' O ' ' O ' ' A' ' 89' ' ' GLU . 86.8 m 53.36 164.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.446 ' N ' ' CG2' ' A' ' 90' ' ' THR . 64.8 p -151.83 122.75 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.384 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.476 ' CG ' ' N ' ' A' ' 93' ' ' LYS . 89.0 t80 -158.92 161.16 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 92' ' ' PHE . 10.0 mtpm? -136.46 139.92 42.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.372 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -103.6 144.8 30.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -74.5 140.91 44.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.485 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.6 mt -100.0 127.55 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.319 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.61 143.45 57.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.86 106.42 15.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -80.43 -10.54 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.81 -32.65 73.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.438 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.81 -44.63 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.42 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 9' ' ' GLU . 58.7 mp0 -69.6 -35.64 75.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 9' ' ' GLU . 36.8 ttmt 56.39 113.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -67.0 -32.46 73.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.729 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -67.95 131.13 44.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.307 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 15' ' ' LYS . 89.0 t -106.44 118.93 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tptp 40.49 -90.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.688 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 13' ' ' VAL . 28.3 ttpt -150.36 28.72 0.72 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.659 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -81.15 141.55 34.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -112.79 110.12 20.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -78.88 132.14 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -133.53 141.76 47.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.208 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -105.51 128.75 53.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.188 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 26.2 m-85 -109.97 131.64 54.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.213 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.09 112.34 24.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.218 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.85 122.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.358 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.1 mt -105.73 -7.04 18.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.546 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.65 18.98 47.46 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.9 tp -88.95 129.39 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.2 p -132.46 159.9 38.01 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 45.4 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.43 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -3.31 5.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.663 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -75.33 -8.96 58.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.571 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 56.9 mp0 -87.65 -6.02 58.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.579 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.5 t -51.45 -55.29 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.215 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 19.0 Cg_endo -58.21 -38.67 90.12 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.561 2.174 . . . . 0.0 112.0 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.17 -42.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.266 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.82 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.95 -33.58 75.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -65.39 -38.81 91.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.586 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.05 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.79 -39.12 93.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.75 -40.45 79.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 m -60.55 -34.01 73.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.7 147.03 43.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -100.99 141.63 33.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.08 -17.75 40.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.1 m -69.5 131.15 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.666 0.27 . . . . 0.0 110.456 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -102.5 -50.76 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.62 156.86 38.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -160.53 161.08 32.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.808 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -148.67 138.05 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.69 119.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG22 HD12 ' A' ' 51' ' ' ILE . 51.6 mt -109.21 113.53 44.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 121.236 0.541 . . . . 0.0 109.768 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.634 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.09 -45.81 4.74 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.07 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 42.7 Cg_endo -68.71 -12.18 33.92 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.504 2.136 . . . . 0.0 112.433 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.6 m -121.84 8.62 9.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' SER . 34.2 ptt180 32.04 35.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' SER . 91.4 m -122.48 132.88 54.55 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.56 133.66 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.216 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -126.76 141.03 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.356 0.598 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -149.58 136.62 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.58 128.56 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -152.77 162.16 41.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.08 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -57.9 -36.96 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.13 -51.1 61.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.751 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.94 -46.62 80.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 110.416 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -143.42 140.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.08 160.8 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.559 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.78 -25.35 60.88 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.701 2.267 . . . . 0.0 111.953 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.68 -38.63 88.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -64.62 -41.44 96.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.76 -44.0 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.74 -42.12 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.65 -39.25 93.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.0 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.9 -40.32 91.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 61.1 m-80 -61.62 -38.91 89.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.496 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 79' ' ' ARG . 97.1 mt-10 -51.61 -40.87 60.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.23 33.3 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.41 ' H ' ' C ' ' A' ' 77' ' ' GLU . 79.9 mtp85 54.9 16.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.18 93.14 4.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.455 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -62.98 125.66 24.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.73 141.84 23.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.19 146.83 51.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.17 146.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -38.88 138.1 0.58 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.2 m -106.89 129.01 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.979 0.418 . . . . 0.0 110.358 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -90.37 8.09 35.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.05 155.1 31.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -170.51 129.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.322 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' SER . 97.9 m -61.65 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' THR . 2.0 t 42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.67 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -156.32 -30.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.464 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 63.0 tttp -68.93 128.94 38.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 93' ' ' LYS . 31.4 m120 -151.92 147.93 27.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -77.24 132.66 38.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.534 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.621 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.32 128.61 34.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 43.52 64.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.602 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.511 ' CG ' ' H ' ' A' ' 6' ' ' LYS . 15.5 p30 -89.49 -106.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.511 ' H ' ' CG ' ' A' ' 5' ' ' ASN . 29.7 ttmt 70.2 -42.71 0.52 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 5' ' ' ASN . 98.5 mt-10 -68.07 -34.52 76.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.505 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.86 -20.11 47.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.438 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -55.44 -14.15 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -61.98 -30.05 70.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.14 -42.41 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -67.18 133.34 49.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.269 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p -139.7 135.55 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.151 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -66.52 -44.67 81.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 16' ' ' LEU . 9.5 ptpp? -81.69 175.67 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.454 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.4 mm? 58.2 142.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -118.3 113.71 21.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.011 0.434 . . . . 0.0 110.457 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.67 140.67 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.766 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.447 ' OG ' ' CZ ' ' A' ' 21' ' ' PHE . 2.5 t -140.27 144.8 36.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.221 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.06 126.81 47.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.242 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.87 122.13 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.693 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -90.8 111.18 22.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 t -99.77 88.9 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 26' ' ' ILE . 4.0 mm? -65.61 -40.96 93.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.542 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.72 33.35 0.6 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.54 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.3 tt -89.56 128.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.228 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.522 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.1 t -120.1 129.01 53.99 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.126 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 41.04 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.1 m -104.69 -12.47 16.35 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.365 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -67.18 -11.83 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.762 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -89.98 8.01 34.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.215 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.565 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.5 t -60.99 -41.59 82.37 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 34.3 Cg_exo -59.68 -38.79 79.14 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.593 2.196 . . . . 0.0 112.028 -179.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.499 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -65.17 -44.99 95.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.367 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.34 -43.97 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.445 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.84 -31.73 72.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.01 -40.64 96.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.768 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.44 -46.16 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.88 -40.15 96.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.196 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.16 -39.94 80.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.277 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.9 m -61.24 -36.16 79.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.21 141.96 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.65 107.54 18.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.03 -13.6 1.69 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -77.99 128.13 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.438 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.81 -47.03 6.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -156.88 156.63 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -156.91 159.62 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -143.34 136.9 28.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.11 116.62 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.0 mt -107.14 100.14 10.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.522 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 m -76.0 -36.33 1.89 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.852 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 60.4 Cg_endo -72.8 -13.5 26.78 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.11 1.206 . . . . 0.0 112.771 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -121.0 0.39 10.22 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 49.02 39.37 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -130.21 141.17 50.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.26 131.72 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -120.89 130.28 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.347 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.17 134.33 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.88 126.52 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.565 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -154.22 152.79 30.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.516 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.01 119.91 14.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.191 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -43.03 97.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 4.0 mm? -62.89 -47.18 84.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.967 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.3 -46.41 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.224 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 tt -144.56 139.53 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 161.28 33.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.02 -24.55 52.52 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.62 2.213 . . . . 0.0 111.688 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.81 -37.49 86.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.92 -38.58 86.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -44.49 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -65.85 -40.04 91.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.63 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -63.67 -41.1 98.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.497 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.6 97.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.409 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.79 -38.7 89.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.745 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 63.7 m-20 -60.6 -39.73 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.416 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.27 -28.76 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.29 42.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 71.25 29.02 2.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' GLU . 9.4 mp -99.63 0.43 42.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.317 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 80' ' ' LEU . 44.7 tp10 44.65 97.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.361 . . . . 0.0 110.457 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.39 148.69 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.582 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 83' ' ' ASN . 0.2 OUTLIER -152.89 167.29 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -86.78 148.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -43.23 141.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.4 m -81.26 128.71 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.494 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -110.8 -61.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.93 39.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' THR . 97.4 mt-10 -66.93 -39.7 87.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.343 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' GLU . 7.6 m 48.32 99.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 m -69.57 147.79 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -104.89 145.16 30.79 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -87.06 139.53 30.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -86.08 165.41 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 57.23 54.99 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 88.1 t90 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.57 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -83.72 138.33 33.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.142 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -134.09 149.87 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.89 133.77 51.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.1 m-85 -119.79 135.71 54.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.105 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -98.48 108.09 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.114 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.49 93.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.9 mm? -72.52 -36.63 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.43 22.24 1.36 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.662 HD13 ' N ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -89.71 123.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.662 ' N ' HD13 ' A' ' 26' ' ' ILE . 23.3 p -134.32 159.7 40.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.179 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 44.92 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -121.23 -4.65 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -73.67 -15.42 61.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.624 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -85.26 -4.89 59.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -48.85 -56.76 13.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.7 Cg_endo -54.2 -41.62 74.37 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.334 2.023 . . . . 0.0 112.122 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.55 97.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.406 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.0 -44.3 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.07 -32.48 73.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.35 -39.15 92.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.536 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.66 -45.17 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.292 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.1 mp -64.81 -38.77 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.09 -39.59 82.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.327 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.9 p -61.04 -33.03 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.495 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.83 146.05 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 62.1 t0 -102.81 144.14 31.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.525 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 103.15 -19.43 46.2 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 45' ' ' VAL . 13.9 m -66.88 133.18 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.539 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -96.42 -54.61 3.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -155.8 159.69 39.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.488 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.83 161.58 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 t -148.47 140.7 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.372 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.63 117.72 47.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.82 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 110.004 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.679 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -74.47 -35.34 2.16 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.804 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.7 Cg_exo -54.6 -35.86 87.59 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.101 1.867 . . . . 0.0 112.019 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -111.25 1.88 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.769 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 54.74 52.7 11.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -140.63 145.46 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -127.25 130.17 70.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.591 ' C ' HD12 ' A' ' 58' ' ' ILE . 1.1 pp -122.5 137.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -147.36 138.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -110.39 126.08 67.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.543 ' HD1' HG23 ' A' ' 66' ' ' ILE . 14.4 p80 -151.9 163.18 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.04 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -86.94 120.14 27.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -57.18 -35.92 70.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.548 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 64' ' ' LEU . 10.4 mp -63.56 -48.09 78.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.74 -44.52 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.543 HG23 ' HD1' ' A' ' 61' ' ' HIS . 18.4 tt -150.15 135.61 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.15 162.84 29.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.21 -32.59 93.99 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.511 2.141 . . . . 0.0 112.036 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.54 -39.73 80.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.693 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.31 -43.4 98.91 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.404 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.74 -44.38 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.38 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.16 93.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -63.5 -39.37 94.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.16 95.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.29 -36.76 83.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.655 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.94 -37.46 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -53.16 -44.59 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.729 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -145.85 141.89 28.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.303 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.911 0.386 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.95 131.81 35.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.813 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -139.19 148.6 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.216 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -109.26 128.31 54.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.074 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.7 m-85 -112.34 105.0 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -72.2 138.67 47.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.274 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.9 m -128.29 129.48 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.406 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -108.82 -18.96 13.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.428 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.91 36.71 3.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 26' ' ' ILE . 16.9 tt -86.05 122.99 39.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.357 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.7 t -100.63 130.09 46.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.5 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.5 p 39.77 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.63 -1.53 9.0 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.161 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 99.5 p -76.23 -7.59 55.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.464 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.88 5.47 36.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -53.62 -57.0 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.0 Cg_endo -57.4 -32.35 93.74 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.173 1.916 . . . . 0.0 112.233 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.17 -42.8 88.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.392 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.83 -44.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.333 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 110.608 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.76 -38.22 89.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' A' ' 41' ' ' SER . 95.6 mt -62.99 -44.19 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.52 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.07 -36.25 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.988 0.423 . . . . 0.0 110.38 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.41 -39.05 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.355 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 82.6 p -64.9 -33.6 76.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.63 141.1 48.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -104.52 108.47 19.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.97 -13.68 1.92 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 45' ' ' VAL . 10.5 m -80.04 127.12 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 110.647 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -93.19 -47.98 6.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.546 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.71 156.14 34.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -157.33 163.17 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.718 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -149.7 144.71 26.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.283 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.96 122.84 61.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.052 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 54' ' ' SER . 60.1 mt -118.83 99.67 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.628 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.18 -40.34 3.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.697 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 48.7 Cg_exo -54.45 -38.83 89.68 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.599 2.199 . . . . 0.0 112.286 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' ILE . 61.2 m -100.7 -4.45 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.61 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 53.75 46.4 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.1 m -133.85 148.98 51.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.7 t -120.4 133.29 67.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.942 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.1 tt -125.43 130.04 72.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.345 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -145.95 132.38 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.01 124.99 58.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.417 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.8 p80 -149.88 163.74 37.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -81.81 116.74 21.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.868 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -57.61 -39.82 77.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.54 -52.24 61.98 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.016 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.3 tt -65.23 -45.61 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG23 ' ND1' ' A' ' 61' ' ' HIS . 16.6 tt -144.08 136.52 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.32 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.81 163.06 21.04 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.8 -33.47 81.19 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.576 2.184 . . . . 0.0 111.991 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -56.19 -43.45 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.721 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -61.87 -42.85 99.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.7 -44.22 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.79 -40.39 95.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.467 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.24 98.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.571 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.66 -35.08 79.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.594 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.16 -37.2 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.619 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -53.94 -38.31 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -148.77 152.9 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.424 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 54.3 mtmt -78.42 138.74 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -143.37 142.13 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.301 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -108.79 127.25 53.85 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.359 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -112.46 123.12 49.59 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.06 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -94.08 111.18 22.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.83 128.02 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.45 -22.66 16.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 33.72 2.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 26' ' ' ILE . 9.5 tp -89.49 130.33 38.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 t -129.72 131.15 46.22 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 40.56 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.812 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -1.88 15.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.296 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -73.12 -12.41 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -92.21 7.26 43.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.2 179.429 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.604 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 48.3 t -64.63 -39.94 44.76 Favored Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 39.0 Cg_exo -60.63 -43.25 33.66 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.636 2.224 . . . . 0.0 111.973 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.26 -43.67 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.707 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.52 -45.01 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.427 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.39 -33.69 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 0.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.99 -37.89 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.99 -44.48 99.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.45 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.17 -38.43 91.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.809 0.337 . . . . 0.0 110.351 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -57.46 -40.61 78.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.7 p -60.83 -34.05 73.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.21 145.41 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -105.57 110.69 23.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.74 -17.68 2.4 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.1 m -74.22 130.17 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.445 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -97.1 -47.19 5.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.33 158.74 36.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.71 160.39 36.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -144.62 131.6 20.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.131 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.51 115.76 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 54' ' ' SER . 63.6 mt -113.98 99.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.011 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.74 -39.76 3.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 50.4 Cg_exo -54.63 -35.91 88.05 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.437 2.092 . . . . 0.0 112.256 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.493 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.8 m -103.57 -3.28 25.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.62 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 53.56 41.17 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.916 0.388 . . . . 0.0 110.693 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.7 m -129.57 140.99 51.06 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -117.33 130.59 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.7 130.32 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.82 133.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.381 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.2 t -105.04 127.68 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.77 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.469 ' ND1' HG23 ' A' ' 66' ' ' ILE . 24.8 p80 -153.87 163.01 40.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.45 118.95 22.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.017 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -58.62 -43.32 89.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.1 tt -61.91 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.592 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 65' ' ' LEU . 1.6 tt -63.34 -46.09 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.088 0.471 . . . . 0.0 110.647 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.469 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.5 tt -144.41 139.13 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.179 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 162.61 20.42 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.798 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.45 -33.15 84.98 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.365 2.044 . . . . 0.0 112.235 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.55 -38.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.775 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -42.42 93.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.42 -44.13 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.51 96.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -39.39 94.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.423 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.85 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.83 -34.62 78.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -61.28 -35.79 78.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.98 -38.69 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.395 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -154.69 169.25 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.5 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 . . . . . 0 C--O 1.232 0.161 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.81 136.74 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.171 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -137.08 152.93 50.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.05 124.68 49.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.015 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -112.16 120.39 41.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -89.63 114.34 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.386 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.5 m -109.08 126.75 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.068 0.461 . . . . 0.0 110.239 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -107.11 -32.14 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.597 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.24 37.87 1.79 Allowed Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' ILE . 9.7 tp -83.61 127.19 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.196 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' CYS . 8.2 t -113.41 132.08 55.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.193 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 27' ' ' CYS . 13.4 p 36.59 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 111.024 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 48.4 p -126.08 0.56 7.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -76.07 -6.42 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.57 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -84.99 1.59 46.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.253 -179.159 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.499 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.8 t -43.96 -57.26 6.29 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 27.5 Cg_endo -58.59 -37.29 95.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.162 1.908 . . . . 0.0 111.812 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.29 -44.52 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.414 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -33.13 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.605 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 78' ' ' ALA . 5.5 mm -62.78 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.484 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.7 mp -65.61 -38.44 89.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.37 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.97 -39.0 77.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.281 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -62.07 -38.29 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.34 144.34 51.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 51.0 p-10 -100.97 145.94 28.03 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.285 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.19 -21.38 37.79 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.7 m -70.39 131.24 34.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.94 0.4 . . . . 0.0 110.513 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -97.07 -49.84 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -157.22 163.28 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -157.17 162.8 39.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -144.37 137.22 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -111.61 120.55 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.021 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 54' ' ' SER . 63.9 mt -109.97 113.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.939 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.632 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 19.3 t -73.89 -45.7 6.8 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.801 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 39.4 Cg_endo -65.48 -15.21 48.68 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.12 1.88 . . . . 0.0 112.645 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.2 t -114.75 -1.99 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 43.88 27.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.821 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.5 m -119.98 133.51 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.063 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -109.14 127.79 65.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.38 129.94 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.19 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.98 132.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.69 122.81 56.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' ND1' HG23 ' A' ' 66' ' ' ILE . 13.3 p80 -151.72 162.52 40.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -85.65 114.27 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.88 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.7 p -51.88 -31.77 29.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.133 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.33 -53.62 34.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.82 -43.61 88.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.0 tt -147.8 135.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.93 161.57 43.72 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 -25.35 48.21 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.635 2.223 . . . . 0.0 111.703 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -63.63 -37.26 86.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.36 -41.48 89.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.36 -44.31 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.435 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.493 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -64.63 -37.35 87.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.11 94.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.76 -38.8 92.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.507 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -61.63 -39.04 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.553 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.46 -41.13 84.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 38' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.537 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.912 0.387 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 16.3 p30 -145.63 138.85 26.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.512 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.467 179.819 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.912 0.387 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -85.08 136.91 33.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -134.2 152.84 52.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.079 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.7 141.85 44.78 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.135 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' ' 84' ' ' VAL . 40.1 m-85 -131.6 151.88 51.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.057 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -128.29 113.21 15.35 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.208 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -103.34 103.25 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.21 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 26' ' ' ILE . 55.3 tp -64.97 -40.73 95.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.301 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.21 40.42 0.34 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.0 tp -89.2 130.74 38.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 110.252 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 7.9 t -128.9 130.83 47.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.794 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.4 p 39.36 -160.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.959 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 32' ' ' VAL . 72.0 p -113.94 -1.3 13.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.216 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 61.9 p -76.72 -9.0 58.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.698 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.87 6.87 44.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.08 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.594 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 54.9 t -63.55 -40.55 59.04 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.551 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 38.5 Cg_exo -60.46 -42.93 36.96 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.612 2.208 . . . . 0.0 111.741 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.44 -43.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -45.0 99.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.74 -35.75 75.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.895 0.379 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.32 -37.96 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.672 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mm -62.22 -44.65 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 48' ' ' TYR . 9.8 mp -63.43 -39.59 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.533 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -58.35 -38.91 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.44 -40.13 93.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD22 ' OE1' ' A' ' 70' ' ' GLN . 67.9 mt -70.11 147.67 49.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -108.82 105.7 15.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.61 -18.37 1.0 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 45' ' ' VAL . 8.5 m -79.74 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.56 -47.7 6.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.44 159.09 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CD2' HD23 ' A' ' 39' ' ' LEU . 8.6 p90 -162.92 163.16 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t -152.59 140.45 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.376 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.55 116.03 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 54' ' ' SER . 62.6 mt -105.81 101.39 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.624 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -75.69 -40.42 3.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.5 Cg_exo -54.22 -35.36 82.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.536 2.157 . . . . 0.0 112.314 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.466 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.8 t -108.71 4.8 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 46.88 39.1 6.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.682 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 57' ' ' VAL . 25.8 m -126.45 156.58 40.42 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.1 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' N ' HG22 ' A' ' 56' ' ' THR . 61.3 t -125.59 135.18 64.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' ILE . 13.1 tt -122.39 130.12 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.291 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.47 135.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -104.62 128.52 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.682 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.456 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.4 p80 -156.72 161.48 39.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -82.59 119.39 24.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -59.06 -42.39 90.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.602 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.5 tt -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.438 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.9 tt -63.66 -46.54 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.743 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.456 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.5 tt -142.2 135.44 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.027 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -86.13 153.46 56.93 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.201 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.38 -35.68 85.09 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.376 2.05 . . . . 0.0 112.214 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -58.73 -37.7 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.408 ' OE1' HD22 ' A' ' 42' ' ' LEU . 5.5 tm0? -61.32 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.52 -44.34 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.43 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.3 92.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.774 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.72 97.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.664 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.6 mt -65.28 -38.98 91.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.719 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.22 -27.31 67.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -49.5 -32.14 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.49 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -141.68 131.12 23.76 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.444 HG22 ' CE2' ' A' ' 21' ' ' PHE . 7.9 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.431 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.547 ' NE2' ' O ' ' A' ' 18' ' ' LYS . 6.7 tm0? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.938 0.399 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.547 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 58.8 mttp -81.73 140.26 34.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.114 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.412 ' OG ' ' CE1' ' A' ' 21' ' ' PHE . 3.1 t -141.39 147.34 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.74 135.05 49.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' CE1' ' OG ' ' A' ' 19' ' ' SER . 64.3 m-85 -125.23 130.86 52.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -98.76 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.209 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.44 114.76 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.6 mt -102.22 -9.23 20.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.34 35.3 5.11 Favored Glycine 0 N--CA 1.464 0.539 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -89.85 134.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -131.87 145.44 51.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.408 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 6.9 p 43.67 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.212 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 29' ' ' THR . 60.3 m -129.11 -6.05 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.24 -9.57 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 16.4 pt-20 -90.12 9.48 28.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.591 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 6.6 t -57.21 -42.89 98.47 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.169 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.5 Cg_exo -59.34 -34.88 97.73 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.687 2.258 . . . . 0.0 111.678 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.78 -43.16 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.467 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.88 -47.78 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.467 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -32.1 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -62.98 -39.1 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.62 -44.75 99.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.57 -40.14 96.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.275 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -56.34 -40.31 74.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.71 -40.46 95.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.548 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.0 149.15 51.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -105.11 146.61 28.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 -22.81 34.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.0 m -70.86 131.0 34.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.469 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -95.67 -49.68 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.06 164.4 35.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -157.28 161.6 39.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -146.34 118.71 8.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.6 t -89.36 121.91 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 54' ' ' SER . 60.5 mt -109.48 102.2 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.73 -40.77 4.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.46 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -54.05 -34.51 77.89 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.54 2.16 . . . . 0.0 112.13 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.3 t -108.74 2.35 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.502 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 52.16 21.47 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -106.12 139.12 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.65 130.39 67.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.32 129.86 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.51 133.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.462 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.0 t -104.05 123.44 57.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.999 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.45 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.8 p80 -153.27 166.07 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.632 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -90.13 120.63 31.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.093 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -56.72 -37.82 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.735 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 64' ' ' LEU . 4.0 mm? -61.58 -50.92 70.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.922 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.78 -45.02 72.41 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.45 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.2 tt -148.6 133.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.608 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.02 162.37 30.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.79 -34.96 92.74 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.577 2.185 . . . . 0.0 112.349 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -56.59 -39.74 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.7 -43.28 97.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.523 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.47 -44.06 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.7 95.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -63.49 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.05 96.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.24 -39.06 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -61.23 -38.9 88.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.521 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.05 -37.75 64.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.627 179.788 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.732 0.301 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -151.74 148.3 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -78.53 136.31 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.023 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 t -141.21 144.45 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.227 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -106.27 136.44 45.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.098 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 27.3 m-85 -122.99 135.83 54.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -108.6 107.42 17.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -98.42 96.62 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 26' ' ' ILE . 56.2 tp -64.05 -41.66 97.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.33 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.47 36.95 0.34 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.509 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.5 tt -89.64 131.61 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.278 . . . . 0.0 110.445 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.9 t -116.59 128.84 55.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 40.13 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.665 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 29' ' ' THR . 55.5 m -111.68 -3.74 14.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.7 p -76.18 -7.34 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.65 8.67 33.16 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.402 0.439 . . . . 0.0 110.176 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 15.7 t -62.49 -41.71 75.17 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.3 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 36.4 Cg_exo -59.08 -44.63 33.17 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.685 2.257 . . . . 0.0 111.836 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.49 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.68 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.46 -44.75 99.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.21 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.54 -33.82 75.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.33 -39.16 89.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.752 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.3 mp -63.1 -38.98 93.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.414 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.82 -40.98 85.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -62.65 -32.71 73.81 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.543 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -73.6 146.0 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -103.54 142.85 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.204 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 -16.67 45.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 45' ' ' VAL . 17.1 m -73.84 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.361 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -98.2 -53.49 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -153.15 159.26 42.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.762 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.456 ' CD2' HD23 ' A' ' 39' ' ' LEU . 8.9 p90 -160.89 162.53 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 t -150.58 136.89 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.4 115.56 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.019 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.467 HG22 ' H ' ' A' ' 54' ' ' SER . 68.0 mt -109.15 100.11 10.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.631 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.34 -39.59 3.18 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.767 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -53.6 -36.25 80.2 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.478 2.119 . . . . 0.0 112.345 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.467 ' H ' HG22 ' A' ' 51' ' ' ILE . 46.5 t -106.52 -0.75 23.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 53.38 43.46 31.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.7 m -134.03 147.39 50.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.7 t -120.22 130.52 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.8 tt -116.04 129.7 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.118 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.27 138.22 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.44 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.41 125.84 68.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.468 ' ND1' HG23 ' A' ' 66' ' ' ILE . 24.6 p80 -153.41 163.52 39.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.608 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -86.06 115.47 23.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -53.9 -20.49 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.612 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.66 -43.31 94.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.468 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.4 tt -145.48 139.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.12 162.19 22.93 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.46 -35.24 96.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.459 2.106 . . . . 0.0 112.273 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.87 -41.24 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.32 -42.39 96.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.37 -44.55 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.38 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.31 -38.3 90.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.08 -40.14 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -60.51 -27.07 67.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.637 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.36 -38.2 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.529 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -132.4 134.38 45.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.096 0.474 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -90.82 139.16 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.262 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.6 m -137.26 149.37 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.075 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -105.51 124.58 49.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.5 m-85 -107.07 118.0 35.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.1 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 59.8 t0 -85.87 104.92 15.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.21 113.67 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.533 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.8 mm? -93.45 -10.06 36.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.08 31.79 7.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 26' ' ' ILE . 15.9 tt -87.08 128.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.0 t -113.13 130.85 56.05 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.498 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.9 p 39.72 -158.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.588 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -6.29 11.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.248 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.0 p -69.63 -12.62 61.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.75 -4.16 59.09 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -49.28 -56.71 14.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -54.37 -39.73 86.0 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.124 1.883 . . . . 0.0 112.268 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.8 -43.3 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.464 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.48 -44.49 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.277 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.92 -33.87 76.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.937 0.398 . . . . 0.0 110.701 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.2 t-20 -62.29 -39.25 92.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.99 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.594 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.408 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.2 mp -64.32 -37.76 88.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 0.0 110.14 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.68 -41.14 81.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.505 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.8 p -63.17 -33.91 76.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.34 148.31 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 50.8 p30 -104.86 150.3 24.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.32 -21.24 47.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 45' ' ' VAL . 15.6 m -69.05 133.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.39 . . . . 0.0 110.333 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -95.0 -54.06 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -157.65 162.81 38.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.3 p90 -158.35 162.49 37.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -146.71 134.53 21.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 t -100.0 116.5 43.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 54' ' ' SER . 66.1 mt -111.72 99.54 8.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.643 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -74.63 -39.41 3.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.576 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 42.8 Cg_exo -56.26 -28.81 73.38 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.444 2.096 . . . . 0.0 112.296 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.42 ' H ' HG22 ' A' ' 51' ' ' ILE . 56.6 p -118.16 16.51 14.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.701 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.4 ptm180 34.4 41.63 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.313 0.383 . . . . 0.0 111.001 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -125.44 136.44 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.25 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.2 t -114.87 131.8 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' ILE . 12.9 tt -125.83 131.54 71.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.192 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.66 135.23 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.529 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.53 128.18 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.611 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.497 ' HD1' HG23 ' A' ' 66' ' ' ILE . 14.8 p80 -158.24 161.67 37.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -88.68 118.1 28.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.087 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -53.34 -37.24 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.36 -53.02 61.98 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.89 -43.92 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.621 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' HD1' ' A' ' 61' ' ' HIS . 19.7 tt -150.26 131.4 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 163.01 36.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.53 -34.05 94.2 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.469 2.113 . . . . 0.0 112.038 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -57.16 -42.66 81.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.72 -43.33 90.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.304 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -44.22 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.09 -45.27 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -62.04 -40.46 95.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.636 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.63 87.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.88 -37.26 85.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 49.1 m-80 -59.83 -38.74 82.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.341 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.41 -33.48 54.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.0 110.611 179.871 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -158.55 136.01 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.412 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.857 0.36 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 99.96 11.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.801 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -92.26 151.23 20.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.141 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.14 132.5 50.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.018 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 24.2 m-85 -119.52 129.61 54.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.995 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -99.49 114.34 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -100.08 111.01 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.199 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.2 mt -94.89 -6.88 41.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.94 28.27 13.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' ILE . 16.6 tt -85.13 130.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 2.8 t -116.07 130.57 56.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 41.91 -168.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.814 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 p -102.39 -9.61 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.193 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -65.85 -17.3 64.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.47 -2.21 58.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -53.24 -56.68 21.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 28.0 Cg_endo -59.18 -31.9 96.15 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.076 1.851 . . . . 0.0 112.224 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.3 -43.53 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.32 -43.65 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.22 -32.84 73.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -61.15 -39.88 91.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.494 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 34.7 mm -62.83 -45.65 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.546 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.8 mp -63.32 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.63 -41.07 80.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 87.8 p -64.09 -33.26 75.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.94 146.31 41.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.643 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 53.1 t0 -101.68 151.3 22.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.258 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 99.52 -24.42 32.28 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.8 m -68.14 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.443 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -99.77 -55.29 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.16 161.72 42.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -158.69 159.73 35.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -143.21 133.99 25.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -100.25 113.72 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 54' ' ' SER . 66.3 mt -108.5 100.21 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.633 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -39.77 3.41 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.3 Cg_exo -54.63 -34.54 83.67 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.543 2.162 . . . . 0.0 112.185 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.1 t -108.1 2.28 22.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 48.61 38.21 10.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -125.77 131.98 52.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.361 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.59 129.07 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.137 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.4 tt -120.79 132.19 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.381 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -142.72 134.26 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 t -103.87 124.51 58.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.618 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.487 ' ND1' HG23 ' A' ' 66' ' ' ILE . 13.9 p80 -155.13 156.54 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -80.66 119.33 23.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.226 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -57.02 -30.03 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.7 -53.23 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.784 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.1 -43.99 85.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.014 0.435 . . . . 0.0 110.815 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.487 HG23 ' ND1' ' A' ' 61' ' ' HIS . 18.3 tt -148.25 135.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.146 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 162.12 28.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.774 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.38 -33.76 86.64 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.499 2.132 . . . . 0.0 112.292 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.84 -42.3 79.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.708 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.68 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.618 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.53 -38.85 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' ' 38' ' ' ILE . . . -58.74 -45.21 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.52 -39.25 93.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -60.45 -39.47 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.35 -39.05 89.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.63 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.796 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.756 0.313 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -150.18 168.93 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.333 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.538 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 . . . . . 0 C--O 1.231 0.088 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -97.17 115.36 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.198 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -110.57 151.14 27.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -101.99 123.73 46.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.135 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 38.6 m-85 -107.2 125.72 51.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -86.76 109.35 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.58 111.32 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 24' ' ' LEU . 9.5 mp -94.26 -22.75 18.19 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.13 21.72 7.86 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' ILE . 17.5 tt -87.19 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.377 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -120.58 135.4 55.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.794 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 29' ' ' THR . 14.3 p 38.99 -139.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.604 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -133.32 -4.48 3.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 110.733 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.1 p -64.17 -19.15 65.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.65 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 55.1 mp0 -87.6 4.26 44.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -50.52 -56.63 17.33 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.679 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.6 Cg_endo -58.53 -32.43 96.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.193 1.929 . . . . 0.0 112.033 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mm -68.08 -43.16 85.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.406 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.98 -44.18 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.459 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -61.68 -39.01 89.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.0 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.9 mp -64.67 -38.72 91.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.746 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -57.83 -34.81 70.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -58.01 -24.36 57.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.403 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.1 mt -80.73 -164.95 0.79 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 22.5 p-10 -143.95 -53.88 0.35 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.39 -16.34 2.26 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 45' ' ' VAL . 20.9 m -74.53 131.56 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -100.15 -52.32 3.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 160.42 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 39' ' ' LEU . 6.8 p90 -159.76 162.02 34.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 t -144.98 137.41 26.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.433 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -97.03 116.46 39.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.151 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' SER . 65.2 mt -111.28 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.383 0.611 . . . . 0.0 110.147 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.678 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.17 -34.94 1.77 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.059 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.3 Cg_exo -55.33 -37.26 94.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.124 1.883 . . . . 0.0 112.098 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.41 ' H ' HG22 ' A' ' 51' ' ' ILE . 84.9 p -110.67 2.11 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.597 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 55.56 52.82 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.7 m -136.99 152.77 50.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.9 133.59 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' ILE . 11.9 tt -127.4 131.48 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.359 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.89 134.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.456 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.03 125.27 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.426 ' ND1' HG23 ' A' ' 66' ' ' ILE . 22.1 p80 -150.37 161.09 43.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -88.22 119.59 28.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.108 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -53.8 -23.78 13.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.25 -54.97 6.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.8 tt -146.1 149.1 16.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.425 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.69 162.3 20.13 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.22 -33.41 95.93 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.524 2.149 . . . . 0.0 112.125 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.44 -40.42 91.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.2 -40.71 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.21 -44.29 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.48 91.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.582 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -63.27 -40.64 97.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.73 91.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.377 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.63 -37.73 87.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.52 -38.44 87.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.575 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.0 -37.94 75.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.518 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.706 0.288 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.44 127.4 29.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.35 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.816 179.227 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.1 138.6 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -133.42 151.53 51.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -105.17 134.52 48.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.1 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 43.6 m-85 -120.97 132.66 55.06 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.044 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.8 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.09 88.18 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -66.38 -41.39 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.204 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 31.63 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.536 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.6 tp -89.35 130.05 39.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.248 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -132.6 141.29 48.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.914 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 7.6 p 43.78 -169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.59 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 p -122.11 -8.61 8.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.382 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.0 t -66.11 -20.91 66.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 12.7 pt-20 -91.04 9.66 29.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.39 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t -60.49 -42.4 88.38 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 31.3 Cg_exo -58.9 -33.91 98.85 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.652 2.235 . . . . 0.0 111.56 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.08 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.427 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.91 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.586 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -63.78 -34.48 78.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.19 -40.24 96.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.12 -44.43 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.52 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.418 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.93 -38.71 83.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.298 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.8 m -61.48 -36.18 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.694 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.76 148.13 46.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 55.3 p-10 -104.67 148.67 26.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.257 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.35 -21.9 41.12 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' VAL . 15.9 m -72.11 130.37 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 0.0 110.402 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -93.64 -51.4 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.35 161.28 41.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -162.5 162.14 27.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -149.97 142.25 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.09 118.41 45.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 54' ' ' SER . 66.3 mt -109.67 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.23 0.538 . . . . 0.0 110.104 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.674 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.47 -34.39 1.58 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.953 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 43.0 Cg_exo -55.29 -37.86 94.18 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.086 1.857 . . . . 0.0 112.354 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 51' ' ' ILE . 85.7 p -111.78 3.54 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.564 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.46 52.78 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.678 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 57' ' ' VAL . 73.1 m -135.43 155.63 50.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.296 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' N ' HG22 ' A' ' 56' ' ' THR . 62.6 t -128.0 133.23 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ILE . 13.9 tt -125.7 129.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.269 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.12 136.99 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.35 125.39 63.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.485 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.2 p80 -156.08 159.93 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.487 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -86.34 117.54 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 t -54.5 -22.89 14.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.64 -55.17 6.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.555 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.04 -42.93 93.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.485 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.5 tt -148.38 133.81 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.02 162.22 31.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.09 -34.34 92.48 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.626 2.217 . . . . 0.0 112.183 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -56.79 -40.25 75.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -64.09 -42.89 96.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.03 -44.76 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.44 -39.81 85.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -64.27 -38.56 91.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.03 92.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.03 -39.14 89.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -61.45 -34.76 75.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -48.68 -38.05 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.613 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.398 179.601 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.678 0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -151.62 140.57 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.246 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 0.0 110.235 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.892 0.377 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -81.86 137.22 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -137.72 142.68 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.39 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.99 135.47 44.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.283 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 m-85 -120.83 131.48 54.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.43 . . . . 0.0 110.212 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -90.33 117.12 28.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 82' ' ' ALA . 2.9 m -111.78 127.17 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.214 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -114.61 -28.42 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.685 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.33 12.69 9.23 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' ILE . 16.4 tt -89.46 131.19 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 30.0 p -132.09 137.81 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.441 ' SG ' ' C ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 58.65 165.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.427 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 t -98.47 0.6 45.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.9 t -74.95 -12.47 60.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 56.0 mp0 -91.68 9.23 33.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.686 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.63 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 41.5 t -62.03 -41.37 75.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.0 Cg_exo -61.16 -42.68 34.04 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.847 2.365 . . . . 0.0 111.817 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.34 -43.31 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.255 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.0 -44.77 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.256 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.14 -33.19 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -63.99 -37.38 87.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.25 -45.25 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 39' ' ' LEU . 10.5 mp -63.88 -38.86 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.507 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -57.79 -37.97 74.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.223 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -61.82 -39.61 92.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.404 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.15 144.93 53.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 43.1 p-10 -104.84 112.56 25.72 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -20.76 2.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 45' ' ' VAL . 12.4 m -72.07 131.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.551 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.98 -47.92 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.49 159.7 41.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.401 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.3 p90 -162.4 161.25 27.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 t -147.96 134.31 19.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.45 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 t -100.16 116.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.458 HG22 ' H ' ' A' ' 54' ' ' SER . 55.1 mt -115.21 100.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 109.986 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.65 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.94 -39.56 3.42 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 178.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.1 Cg_exo -55.2 -33.13 83.32 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.739 2.293 . . . . 0.0 111.808 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.458 ' H ' HG22 ' A' ' 51' ' ' ILE . 10.1 t -108.82 1.09 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.394 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 49.39 39.29 16.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.2 m -125.48 139.78 53.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.75 131.12 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.6 tt -124.42 130.44 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.594 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.07 134.54 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.561 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.46 128.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.314 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.3 p80 -155.79 158.63 38.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.75 116.18 18.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.415 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -58.05 -41.91 84.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.47 -48.79 78.07 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.987 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.1 tt -67.38 -46.87 72.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 110.486 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG23 ' ND1' ' A' ' 61' ' ' HIS . 18.2 tt -142.08 136.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.399 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.14 159.8 47.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.43 -27.27 62.61 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.731 2.287 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.28 -36.87 83.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.362 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.88 -38.63 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.41 -43.84 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.341 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.11 98.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.91 -39.97 96.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.94 89.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.428 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -60.39 -39.69 88.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.426 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -54.41 -38.79 66.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -149.83 139.6 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -98.64 140.81 32.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -147.87 151.75 36.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.27 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -89.66 129.92 36.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.403 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 84.3 m-85 -120.36 104.71 10.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.03 137.82 40.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.083 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.5 m -127.22 131.29 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.561 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -105.66 -29.41 10.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.99 29.77 2.7 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.4 tp -85.19 131.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.611 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.8 t -130.27 129.88 43.85 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.174 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 15.7 p 39.98 -163.54 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.971 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -110.47 -4.01 15.76 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.13 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -76.73 -10.21 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.39 6.01 47.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.35 179.539 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 79.4 t -63.87 -38.48 37.11 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 30.8 Cg_exo -62.68 -38.53 49.43 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -65.38 -44.64 94.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.98 -43.69 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.532 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.07 -32.06 73.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.756 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -62.45 -40.14 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.868 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.6 mm -62.03 -47.41 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.765 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.0 mp -62.21 -37.95 87.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.287 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.41 -41.69 85.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.204 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -65.16 -32.62 74.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.37 150.34 38.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -107.59 146.46 31.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.3 -20.69 39.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 45' ' ' VAL . 11.6 m -72.83 130.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.377 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -97.61 -54.3 3.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.22 159.52 44.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.132 0.491 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.46 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.1 p90 -157.85 160.91 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t -146.5 133.3 20.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.165 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -101.27 112.18 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.437 HG22 ' H ' ' A' ' 54' ' ' SER . 64.6 mt -108.41 100.14 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -74.44 -39.56 3.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.622 179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.9 -33.91 73.92 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.229 1.953 . . . . 0.0 112.069 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.437 ' H ' HG22 ' A' ' 51' ' ' ILE . 47.4 t -109.93 3.41 20.51 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 48.62 39.64 13.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.714 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.7 m -127.35 134.53 49.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.09 129.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -118.58 130.36 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.145 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' A' ' 21' ' ' PHE . 3.8 p -140.94 137.99 34.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.897 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.8 t -108.82 127.29 65.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.446 ' ND1' HG23 ' A' ' 66' ' ' ILE . 19.7 p80 -156.64 159.53 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.554 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.15 120.94 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.402 . . . . 0.0 110.163 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -59.36 -42.46 91.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.508 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.9 mm? -61.91 -46.52 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 65' ' ' LEU . 5.9 tt -68.52 -46.74 68.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.562 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.446 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.8 tt -140.73 135.7 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.153 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.484 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . 70.2 m -76.92 148.41 78.86 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.313 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.94 -48.89 17.48 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.753 1.635 . . . . 0.0 112.74 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.484 ' CE2' ' CB ' ' A' ' 67' ' ' SER . 14.4 p90 -55.58 -29.7 59.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -56.72 -40.77 76.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.245 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.73 -43.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.81 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.93 -41.33 99.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.12 98.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.33 -39.84 92.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.838 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 82' ' ' ALA . 27.9 m120 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.96 -39.16 68.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.468 179.843 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' N ' HD22 ' A' ' 76' ' ' ASN . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.833 0.349 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -154.77 168.3 27.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.39 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.447 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -82.92 103.86 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.996 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 t -100.66 139.02 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.385 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -103.74 133.65 48.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.804 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 32.5 m-85 -122.67 134.02 54.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.168 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.82 107.3 18.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -93.59 91.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.53 -39.73 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.47 44.49 1.43 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 26' ' ' ILE . 9.3 tp -89.73 129.6 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.243 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.46 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 t -125.81 129.61 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.0 p 40.66 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.678 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -7.25 15.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.173 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -68.54 -15.52 63.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.3 -5.03 59.21 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -55.45 -57.08 22.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 14.9 Cg_endo -53.9 -37.53 85.53 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.357 2.038 . . . . 0.0 112.235 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.8 mp -65.13 -43.55 95.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.65 -44.64 99.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.08 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -63.56 -39.17 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.23 -44.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.4 mp -63.52 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -58.07 -40.96 82.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 t -62.07 -41.23 97.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.74 146.14 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -103.8 148.08 26.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -23.28 34.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.2 m -66.51 132.19 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -98.76 -55.72 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.89 158.58 43.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.464 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CD2' HD23 ' A' ' 39' ' ' LEU . 9.7 p90 -157.73 162.74 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.759 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -145.36 132.39 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -100.85 114.48 40.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.187 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -111.32 97.9 6.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -74.17 -38.99 3.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.534 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 36.0 Cg_exo -56.52 -29.92 80.45 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.731 2.287 . . . . 0.0 112.157 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.5 t -112.35 0.99 15.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 50.46 34.74 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.4 m -121.19 134.68 55.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.56 131.78 66.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.909 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.5 tt -125.33 130.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.99 131.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.45 125.84 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' ND1' HG23 ' A' ' 66' ' ' ILE . 12.0 p80 -153.68 157.83 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -82.69 117.04 22.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.058 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -52.55 -36.75 56.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.186 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 tp -63.09 -51.7 65.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.59 -45.01 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.012 0.434 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' ND1' ' A' ' 61' ' ' HIS . 15.9 tt -147.23 138.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.677 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 160.67 39.57 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.34 -29.16 63.3 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.849 2.366 . . . . 0.0 111.715 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.05 -43.12 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.437 ' OE1' ' CD1' ' A' ' 66' ' ' ILE . 46.9 tt0 -63.6 -42.48 98.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.658 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.29 -44.57 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.22 89.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.53 -41.16 98.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.61 83.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.32 -42.52 96.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.43 -39.13 93.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.716 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -51.68 -34.52 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.481 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.494 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -153.38 160.26 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.465 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -79.47 137.66 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.324 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -147.5 144.03 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.275 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -104.84 130.12 53.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -113.42 116.86 30.3 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.401 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.0 108.74 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.05 129.94 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.182 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.27 -1.33 28.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.435 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.65 19.18 38.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 26' ' ' ILE . 17.4 tt -83.54 130.63 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.353 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.8 t -113.1 130.8 56.06 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.9 p 40.47 -164.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.636 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 29' ' ' THR . 55.1 m -108.78 -11.79 15.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.462 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -66.92 -14.47 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.12 -5.15 59.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -48.92 -56.7 13.99 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.026 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 16.7 Cg_endo -54.88 -42.08 72.35 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.618 2.212 . . . . 0.0 111.888 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.5 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.421 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.85 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.24 -34.29 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.452 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.62 -38.84 86.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.53 -44.27 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.569 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.71 -38.75 75.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.86 147.39 52.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.257 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 40.4 p-10 -106.85 111.99 24.76 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.94 -15.89 2.82 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.0 m -78.41 132.03 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -100.45 -47.43 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.67 157.37 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -158.4 160.28 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 p -146.87 128.36 15.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.08 109.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.454 HG22 ' H ' ' A' ' 54' ' ' SER . 67.0 mt -108.28 102.04 13.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.0 110.095 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.62 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.49 -41.1 4.59 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.305 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.53 -32.39 63.27 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.0 t -110.04 1.38 18.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.454 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 48.91 37.43 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.6 m -127.51 134.21 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.29 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.79 131.37 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 pt -124.09 136.37 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.96 136.53 26.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.453 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.93 126.24 59.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.432 ' ND1' HG23 ' A' ' 66' ' ' ILE . 21.7 p80 -153.01 162.64 41.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.689 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -81.25 118.71 22.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 t -60.67 -42.64 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.809 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.52 -47.03 85.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.828 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 65' ' ' LEU . 1.9 tt -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.412 0.625 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.0 tt -143.34 137.13 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 p -89.96 155.22 47.56 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.85 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.22 -34.58 79.81 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.531 2.154 . . . . 0.0 112.332 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -56.42 -38.09 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.625 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.66 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -44.4 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.98 89.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.728 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.19 -43.79 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.44 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.23 81.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.07 -41.45 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.633 HD22 ' N ' ' A' ' 82' ' ' ALA . 28.9 m120 -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.761 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -49.68 -24.74 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.386 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.633 ' N ' HD22 ' A' ' 76' ' ' ASN . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.772 0.32 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -150.04 169.23 21.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 N--CA 1.465 0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.446 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.899 0.38 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.31 141.48 35.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.198 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -148.85 157.27 43.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.61 127.28 53.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.214 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 41.5 m-85 -110.93 115.68 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -83.18 116.93 22.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.98 96.51 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.9 mm? -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 45.99 3.11 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' ILE . 8.7 tp -88.44 130.17 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.243 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 28' ' ' CYS . 3.7 t -131.83 131.38 42.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 27' ' ' CYS . 13.0 p 39.93 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.508 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -8.52 14.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -63.62 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -88.11 4.26 46.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -59.63 -56.03 39.86 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 21.4 Cg_endo -58.67 -31.18 94.25 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.96 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -65.76 -44.92 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.36 -44.38 97.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.51 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -63.12 -38.9 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.33 -44.49 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.46 -39.17 93.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.27 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -57.52 -39.29 76.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.402 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.7 m -61.68 -33.66 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.587 HD22 ' OE1' ' A' ' 70' ' ' GLN . 67.9 mt -72.16 146.26 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -109.18 111.38 22.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.53 -17.11 2.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.8 m -75.58 132.7 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.57 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -95.26 -48.46 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -156.39 157.6 35.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -158.31 159.69 36.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -143.36 134.41 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.9 t -101.81 116.34 45.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 54' ' ' SER . 64.5 mt -113.33 98.9 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.008 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.635 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.32 -39.67 4.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.451 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.4 Cg_exo -55.18 -31.13 74.55 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.542 2.162 . . . . 0.0 112.208 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 51' ' ' ILE . 85.5 p -111.9 2.07 16.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 49.38 36.55 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.2 m -123.58 133.14 54.0 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.45 133.04 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.187 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.5 tt -125.1 130.6 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.7 132.9 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.638 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 t -105.19 123.43 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.1 p80 -149.62 163.24 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.408 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -85.27 118.43 24.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.02 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.6 p -56.49 -21.14 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.491 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.86 -55.05 5.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.2 -43.78 90.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.6 tt -146.02 141.08 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.24 163.01 19.1 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.09 -36.48 96.34 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.15 -39.3 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.634 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.587 ' OE1' HD22 ' A' ' 42' ' ' LEU . 2.0 tm0? -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.292 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.27 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -64.33 -38.24 90.35 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.81 97.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.609 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.54 -40.39 95.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.34 -24.85 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.567 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -53.26 -31.87 45.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -151.14 169.44 21.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.355 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.211 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.075 0.464 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.26 131.31 37.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.097 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -134.75 150.02 50.51 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -114.63 128.84 56.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.555 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 7.7 m-85 -120.34 118.68 31.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.59 139.57 38.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.221 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 82' ' ' ALA . 2.8 m -122.91 125.88 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.078 0.466 . . . . 0.0 110.255 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -107.7 -19.28 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.462 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.75 17.67 55.67 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' ILE . 10.1 tp -76.41 129.25 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.447 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -127.9 136.45 51.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 29' ' ' THR . 13.6 p 37.24 -143.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.686 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 t -130.56 -4.74 4.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.7 t -62.46 -19.24 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 54.6 mp0 -85.05 -7.1 59.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -45.99 -57.6 7.84 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 20.0 Cg_endo -56.56 -42.41 65.61 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.36 2.04 . . . . 0.0 112.435 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.04 -43.36 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.502 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.48 -44.95 99.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.49 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.67 -33.24 75.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 0.0 110.626 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.29 -38.75 92.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.756 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.67 -44.79 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.29 -39.36 93.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.8 -37.96 71.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.385 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 t -61.79 -39.97 93.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -69.34 139.53 54.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.547 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -100.54 110.82 23.01 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.536 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.01 -20.81 2.13 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 45' ' ' VAL . 10.4 m -74.5 129.05 36.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -94.67 -48.0 6.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -155.06 158.29 38.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.653 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -158.69 158.75 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.864 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -144.19 133.42 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.8 t -100.7 115.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.221 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -115.2 101.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.89 0.376 . . . . 0.0 110.021 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.92 -40.45 3.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 179.401 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 52.0 Cg_exo -53.41 -36.1 78.01 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.488 2.125 . . . . 0.0 112.32 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.476 ' H ' HG22 ' A' ' 51' ' ' ILE . 10.6 t -111.21 17.25 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.759 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.0 ptp180 33.83 41.9 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.35 0.406 . . . . 0.0 111.105 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.9 m -126.25 132.42 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.273 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.5 t -120.03 129.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.699 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -123.87 142.84 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -149.48 138.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -106.26 127.48 61.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -154.94 162.4 41.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -85.6 118.24 24.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.13 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 t -59.36 -41.9 90.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.55 -49.18 77.7 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.3 tt -66.65 -46.76 74.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.0 110.551 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.12 135.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 155.34 70.67 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.59 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.39 -27.54 71.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.855 2.37 . . . . 0.0 111.79 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -62.96 -37.06 85.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.92 -40.87 96.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.45 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.56 -44.27 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.69 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.55 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.01 -40.1 96.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.43 80.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.04 -39.23 90.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.46 -38.72 90.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -49.48 -33.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.627 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -154.44 157.94 39.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.552 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.398 -179.887 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.978 0.418 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.73 137.82 37.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.205 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -149.77 152.61 35.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.226 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -111.82 128.69 56.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.302 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.78 106.77 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.151 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.94 117.39 24.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.39 131.25 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 110.279 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.1 mt -105.04 -20.55 13.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.46 31.13 2.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 26' ' ' ILE . 20.7 tt -84.86 124.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.827 0.346 . . . . 0.0 110.431 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 28' ' ' CYS . 9.4 t -94.66 134.22 37.47 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 27' ' ' CYS . 14.3 p 34.69 -151.66 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.089 0.243 . . . . 0.0 111.251 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 47.6 p -130.43 -0.65 4.47 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.884 0.374 . . . . 0.0 110.462 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.32 -6.26 50.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.14 0.97 42.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 t -41.75 -57.7 3.78 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.3 Cg_endo -57.2 -39.25 91.83 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.978 1.785 . . . . 0.0 112.132 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.283 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.39 -32.8 73.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.378 . . . . 0.0 110.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.43 -39.25 93.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.971 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.61 -46.38 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.496 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.2 mp -65.09 -38.9 92.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.346 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.35 -39.73 76.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 -40.97 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.615 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.92 144.31 56.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.66 149.15 23.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.409 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.03 -21.94 43.38 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.5 m -68.09 131.78 33.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.41 . . . . 0.0 110.281 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -97.36 -50.71 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -156.8 161.09 39.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -158.46 159.69 35.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -143.64 136.63 27.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.261 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.3 t -102.95 111.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.957 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' OG ' ' A' ' 54' ' ' SER . 55.1 mt -99.9 109.53 24.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.35 -43.37 4.32 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.359 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 49.1 Cg_endo -68.37 -16.2 43.19 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.839 1.692 . . . . 0.0 112.894 -177.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.448 ' OG ' ' CG2' ' A' ' 51' ' ' ILE . 24.4 p -117.53 2.25 12.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.857 0.36 . . . . 0.0 110.447 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 42.87 23.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' SER . 58.4 m -110.82 134.68 52.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.139 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -109.68 130.14 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.777 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.4 tt -119.76 131.61 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.377 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.27 134.01 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.384 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -103.64 120.31 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.757 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' HG23 ' A' ' 66' ' ' ILE . 21.4 p80 -149.96 154.2 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.506 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.63 125.94 31.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -58.43 -40.01 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.481 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.44 -52.48 65.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.89 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.17 -43.77 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.747 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.2 tt -149.88 133.23 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.36 161.94 35.75 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.1 -34.84 93.95 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.338 2.025 . . . . 0.0 112.297 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.03 -40.48 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.57 -44.77 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.41 -43.86 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.37 99.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.678 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.2 -39.83 94.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.725 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.83 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.834 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.21 -39.07 93.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -59.83 -38.48 82.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.341 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.95 -33.85 67.44 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.861 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.761 0.315 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -131.86 140.17 49.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.427 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.806 0.336 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -78.88 132.14 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -133.53 141.76 47.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.208 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -105.51 128.75 53.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.188 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 26.2 m-85 -109.97 131.64 54.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.213 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.09 112.34 24.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.218 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 23' ' ' VAL . 4.2 p -114.85 122.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.1 mt -105.73 -7.04 18.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.546 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.65 18.98 47.46 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 26' ' ' ILE . 7.9 tp -88.95 129.39 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.517 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.2 p -132.46 159.9 38.01 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 45.4 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.43 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -3.31 5.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.663 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -75.33 -8.96 58.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 56.9 mp0 -87.65 -6.02 58.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.615 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.5 t -51.45 -55.29 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.215 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 19.0 Cg_endo -58.21 -38.67 90.12 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.561 2.174 . . . . 0.0 112.0 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.17 -42.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.266 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.82 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.95 -33.58 75.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -65.39 -38.81 91.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.586 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.05 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.79 -39.12 93.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.75 -40.45 79.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 m -60.55 -34.01 73.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.7 147.03 43.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -100.99 141.63 33.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.08 -17.75 40.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.1 m -69.5 131.15 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.666 0.27 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -102.5 -50.76 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.62 156.86 38.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -160.53 161.08 32.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.808 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -148.67 138.05 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.69 119.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.6 mt -109.21 113.53 44.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 121.236 0.541 . . . . 0.0 109.768 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.672 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.09 -45.81 4.74 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.07 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 42.7 Cg_endo -68.71 -12.18 33.92 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.504 2.136 . . . . 0.0 112.433 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.6 m -121.84 8.62 9.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' SER . 34.2 ptt180 32.04 35.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' SER . 91.4 m -122.48 132.88 54.55 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.56 133.66 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.216 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -126.76 141.03 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.356 0.598 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -149.58 136.62 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.58 128.56 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -152.77 162.16 41.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.08 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -57.9 -36.96 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.13 -51.1 61.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.751 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.2 tt -64.94 -46.62 80.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 110.416 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -143.42 140.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.08 160.8 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.559 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.78 -25.35 60.88 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.701 2.267 . . . . 0.0 111.953 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.68 -38.63 88.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -64.62 -41.44 96.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.76 -44.0 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.536 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.74 -42.12 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.65 -39.25 93.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.0 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.9 -40.32 91.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 61.1 m-80 -61.62 -38.91 89.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.496 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -51.61 -40.87 60.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 179.806 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.809 0.338 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.19 146.83 51.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.083 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.011 0.434 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.67 140.67 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.766 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -140.27 144.8 36.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.221 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.06 126.81 47.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.242 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.87 122.13 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.693 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -90.8 111.18 22.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 t -99.77 88.9 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.549 ' N ' HD22 ' A' ' 24' ' ' LEU . 4.0 mm? -65.61 -40.96 93.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.542 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.72 33.35 0.6 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.3 tt -89.56 128.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.228 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.1 t -120.1 129.01 53.99 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.126 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 41.04 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 29' ' ' THR . 85.1 m -104.69 -12.47 16.35 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.365 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -67.18 -11.83 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.762 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -89.98 8.01 34.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.215 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.565 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.5 t -60.99 -41.59 82.37 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 34.3 Cg_exo -59.68 -38.79 79.14 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.593 2.196 . . . . 0.0 112.028 -179.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -65.17 -44.99 95.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.367 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.34 -43.97 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.445 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.84 -31.73 72.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.01 -40.64 96.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.768 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.44 -46.16 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.88 -40.15 96.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.196 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.16 -39.94 80.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.277 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.9 m -61.24 -36.16 79.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.21 141.96 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.65 107.54 18.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.03 -13.6 1.69 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 45' ' ' VAL . 12.4 m -77.99 128.13 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.81 -47.03 6.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -156.88 156.63 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -156.91 159.62 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -143.34 136.9 28.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.11 116.62 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 ' H ' ' A' ' 54' ' ' SER . 40.0 mt -107.14 100.14 10.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.522 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 m -76.0 -36.33 1.89 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.852 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 60.4 Cg_endo -72.8 -13.5 26.78 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.11 1.206 . . . . 0.0 112.771 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.417 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.4 m -121.0 0.39 10.22 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 49.02 39.37 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -130.21 141.17 50.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.26 131.72 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -120.89 130.28 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.347 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.17 134.33 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.88 126.52 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.565 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.8 p80 -154.22 152.79 30.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.516 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.01 119.91 14.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.191 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -43.03 97.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.512 ' N ' HD22 ' A' ' 64' ' ' LEU . 4.0 mm? -62.89 -47.18 84.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.967 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.9 tt -67.3 -46.41 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.224 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' ND1' ' A' ' 61' ' ' HIS . 17.1 tt -144.56 139.53 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 161.28 33.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.02 -24.55 52.52 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.62 2.213 . . . . 0.0 111.688 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.81 -37.49 86.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.92 -38.58 86.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -44.49 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.04 91.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.63 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -63.67 -41.1 98.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.497 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.6 97.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.409 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.79 -38.7 89.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.745 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -60.6 -39.73 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.416 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.27 -28.76 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.88 0.371 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -152.89 167.29 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.7 mt 58.08 169.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.322 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.645 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 1.2 pm0 -66.46 -37.79 85.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' GLU . 18.6 t-20 58.91 56.83 3.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -55.47 -9.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.471 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' ASN . 44.4 tp10 -57.31 -22.83 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.191 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -51.63 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.586 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.84 -51.95 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.1 tttt 46.19 57.11 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -62.74 -43.68 98.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -141.15 144.12 34.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.3 -51.12 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.7 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -177.93 70.41 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.647 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -132.51 139.85 48.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.065 0.46 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.29 -172.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -134.23 111.43 10.25 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -83.72 138.33 33.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.142 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -134.09 149.87 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.89 133.77 51.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.1 m-85 -119.79 135.71 54.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.105 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -98.48 108.09 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.114 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.49 93.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.9 mm? -72.52 -36.63 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.43 22.24 1.36 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.662 HD13 ' N ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -89.71 123.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.662 ' N ' HD13 ' A' ' 26' ' ' ILE . 23.3 p -134.32 159.7 40.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.179 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 44.92 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -121.23 -4.65 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -73.67 -15.42 61.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.624 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -85.26 -4.89 59.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -48.85 -56.76 13.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.7 Cg_endo -54.2 -41.62 74.37 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.334 2.023 . . . . 0.0 112.122 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.55 97.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.406 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.0 -44.3 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.07 -32.48 73.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.35 -39.15 92.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.536 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.66 -45.17 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.292 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 39' ' ' LEU . 10.1 mp -64.81 -38.77 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.09 -39.59 82.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.327 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.9 p -61.04 -33.03 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.495 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.83 146.05 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 62.1 t0 -102.81 144.14 31.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.525 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 103.15 -19.43 46.2 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 45' ' ' VAL . 13.9 m -66.88 133.18 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.539 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -96.42 -54.61 3.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -155.8 159.69 39.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.488 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.83 161.58 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 t -148.47 140.7 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.372 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.63 117.72 47.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.82 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 110.004 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.679 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -74.47 -35.34 2.16 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.804 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.7 Cg_exo -54.6 -35.86 87.59 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.101 1.867 . . . . 0.0 112.019 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -111.25 1.88 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.769 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 54.74 52.7 11.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -140.63 145.46 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -127.25 130.17 70.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.591 ' C ' HD12 ' A' ' 58' ' ' ILE . 1.1 pp -122.5 137.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -147.36 138.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -110.39 126.08 67.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.543 ' HD1' HG23 ' A' ' 66' ' ' ILE . 14.4 p80 -151.9 163.18 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.04 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -86.94 120.14 27.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -57.18 -35.92 70.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.548 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 64' ' ' LEU . 10.4 mp -63.56 -48.09 78.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.74 -44.52 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.543 HG23 ' HD1' ' A' ' 61' ' ' HIS . 18.4 tt -150.15 135.61 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.15 162.84 29.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.21 -32.59 93.99 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.511 2.141 . . . . 0.0 112.036 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.54 -39.73 80.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.693 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.31 -43.4 98.91 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.404 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.74 -44.38 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.38 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.16 93.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -63.5 -39.37 94.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.16 95.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.29 -36.76 83.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.655 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.94 -37.46 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -53.16 -44.59 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' CB ' HD13 ' A' ' 80' ' ' LEU . . . -75.2 -10.43 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.729 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' C ' HD12 ' A' ' 80' ' ' LEU . 63.1 ttp85 69.49 47.78 0.65 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.868 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 79' ' ' ARG . 8.9 mp -105.35 5.43 31.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.196 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' LEU . 51.2 mt-10 54.87 105.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.145 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.29 139.94 51.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.324 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -145.85 141.89 28.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.76 114.23 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.303 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 38.64 91.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.759 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 86' ' ' VAL . 33.5 m -71.77 128.27 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -95.21 1.13 54.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.464 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.37 -131.61 52.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -160.39 -13.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m 43.47 79.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.3 m -74.47 143.23 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 93' ' ' LYS . 47.1 p90 -62.95 -46.97 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 92' ' ' PHE . 87.8 tttt -156.02 -21.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.502 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -85.98 103.68 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.514 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -146.44 78.59 1.51 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.756 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -98.54 115.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.995 0.426 . . . . 0.0 109.909 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.565 ' N ' HD13 ' A' ' 3' ' ' LEU . 60.0 tt0 -97.2 116.6 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.064 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -89.48 118.34 29.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.336 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.34 -32.41 73.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -51.85 -29.22 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 6.4 mp0 -65.17 -20.8 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.326 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.28 -39.64 87.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -139.91 139.51 36.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.56 -41.28 98.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 56.44 108.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 13' ' ' VAL . 6.0 m -72.82 135.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.5 mmtm -92.58 -73.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER 51.57 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.182 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.9 mm? -73.55 141.09 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -111.97 108.01 17.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.199 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.95 131.81 35.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.813 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -139.19 148.6 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.216 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -109.26 128.31 54.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.074 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.7 m-85 -112.34 105.0 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -72.2 138.67 47.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.274 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.9 m -128.29 129.48 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.406 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -108.82 -18.96 13.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.428 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.91 36.71 3.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 26' ' ' ILE . 16.9 tt -86.05 122.99 39.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.357 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.7 t -100.63 130.09 46.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.5 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.5 p 39.77 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.63 -1.53 9.0 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.161 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.451 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 99.5 p -76.23 -7.59 55.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.464 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.88 5.47 36.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -53.62 -57.0 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.0 Cg_endo -57.4 -32.35 93.74 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.173 1.916 . . . . 0.0 112.233 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.17 -42.8 88.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.392 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.83 -44.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.333 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 110.608 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.76 -38.22 89.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' A' ' 41' ' ' SER . 95.6 mt -62.99 -44.19 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.52 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.07 -36.25 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.988 0.423 . . . . 0.0 110.38 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.41 -39.05 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.355 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 82.6 p -64.9 -33.6 76.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.63 141.1 48.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -104.52 108.47 19.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.97 -13.68 1.92 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 45' ' ' VAL . 10.5 m -80.04 127.12 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 110.647 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -93.19 -47.98 6.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.546 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.71 156.14 34.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -157.33 163.17 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.718 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -149.7 144.71 26.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.283 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.96 122.84 61.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.052 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 54' ' ' SER . 60.1 mt -118.83 99.67 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.628 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.18 -40.34 3.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.697 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 48.7 Cg_exo -54.45 -38.83 89.68 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.599 2.199 . . . . 0.0 112.286 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' ILE . 61.2 m -100.7 -4.45 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.61 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 53.75 46.4 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.1 m -133.85 148.98 51.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.7 t -120.4 133.29 67.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.942 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.1 tt -125.43 130.04 72.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.345 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -145.95 132.38 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.01 124.99 58.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.8 p80 -149.88 163.74 37.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -81.81 116.74 21.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.868 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -57.61 -39.82 77.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.54 -52.24 61.98 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.016 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.3 tt -65.23 -45.61 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG23 ' ND1' ' A' ' 61' ' ' HIS . 16.6 tt -144.08 136.52 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.32 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.81 163.06 21.04 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.8 -33.47 81.19 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.576 2.184 . . . . 0.0 111.991 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -56.19 -43.45 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.721 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -61.87 -42.85 99.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.7 -44.22 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.79 -40.39 95.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.467 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.24 98.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.571 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.66 -35.08 79.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.594 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.16 -37.2 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.619 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -53.94 -38.31 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.42 ' CB ' HD13 ' A' ' 80' ' ' LEU . . . -74.35 -9.36 58.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' C ' HD12 ' A' ' 80' ' ' LEU . 52.5 ttt85 69.07 49.46 0.63 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 79' ' ' ARG . 8.9 mp -106.18 0.24 25.16 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.918 0.39 . . . . 0.0 110.373 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 54.13 63.42 2.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.151 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -96.66 145.91 25.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.398 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -148.77 152.9 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t -74.16 143.01 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.424 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -40.29 139.67 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.9 p -142.0 152.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.512 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -77.57 96.46 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.19 92.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.57 172.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 p -80.86 160.81 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -171.43 90.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.434 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.36 145.51 51.3 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' CD ' ' H ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -86.67 -91.42 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.064 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -138.47 148.79 44.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.644 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.76 -42.64 99.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.747 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.458 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 4' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 3' ' ' LEU . 9.9 mp 55.06 6.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.52 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 2' ' ' ALA . 88.3 mt-30 -133.2 -85.02 0.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.513 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 17.6 p30 -94.41 131.47 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -129.62 -10.05 4.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -69.54 -34.53 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -60.4 -46.2 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -80.09 -12.84 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt 54.64 172.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' VAL . 65.0 mttp -63.31 -41.64 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt 53.39 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.527 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 11' ' ' LYS . 11.1 p -99.89 123.5 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.963 0.411 . . . . 0.0 110.227 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -111.67 15.89 20.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.352 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' H ' HG22 ' A' ' 13' ' ' VAL . 36.0 ttpt -52.16 -71.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.621 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.7 mm? 43.2 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -127.73 109.63 11.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.368 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 54.3 mtmt -78.42 138.74 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -143.37 142.13 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.301 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -108.79 127.25 53.85 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.359 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -112.46 123.12 49.59 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.06 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -94.08 111.18 22.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.83 128.02 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.45 -22.66 16.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 33.72 2.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 26' ' ' ILE . 9.5 tp -89.49 130.33 38.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 t -129.72 131.15 46.22 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 40.56 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.812 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -1.88 15.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.296 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -73.12 -12.41 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -92.21 7.26 43.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.2 179.429 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.604 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 48.3 t -64.63 -39.94 44.76 Favored Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 39.0 Cg_exo -60.63 -43.25 33.66 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.636 2.224 . . . . 0.0 111.973 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.26 -43.67 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.707 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.52 -45.01 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.427 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.39 -33.69 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 0.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.99 -37.89 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.99 -44.48 99.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.45 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.17 -38.43 91.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.809 0.337 . . . . 0.0 110.351 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -57.46 -40.61 78.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.7 p -60.83 -34.05 73.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.21 145.41 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -105.57 110.69 23.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.74 -17.68 2.4 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.1 m -74.22 130.17 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.445 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -97.1 -47.19 5.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.33 158.74 36.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.71 160.39 36.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -144.62 131.6 20.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.131 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.51 115.76 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 54' ' ' SER . 63.6 mt -113.98 99.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.011 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.74 -39.76 3.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 50.4 Cg_exo -54.63 -35.91 88.05 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.437 2.092 . . . . 0.0 112.256 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.493 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.8 m -103.57 -3.28 25.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.62 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 53.56 41.17 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.916 0.388 . . . . 0.0 110.693 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.7 m -129.57 140.99 51.06 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -117.33 130.59 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.7 130.32 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.82 133.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.381 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.2 t -105.04 127.68 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.77 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.469 ' ND1' HG23 ' A' ' 66' ' ' ILE . 24.8 p80 -153.87 163.01 40.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.45 118.95 22.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.017 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -58.62 -43.32 89.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.1 tt -61.91 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.592 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 65' ' ' LEU . 1.6 tt -63.34 -46.09 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.088 0.471 . . . . 0.0 110.647 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.469 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.5 tt -144.41 139.13 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.179 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 162.61 20.42 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.798 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.45 -33.15 84.98 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.365 2.044 . . . . 0.0 112.235 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.55 -38.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.775 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -42.42 93.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.42 -44.13 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.51 96.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -39.39 94.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.423 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.85 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.83 -34.62 78.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -61.28 -35.79 78.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.98 -38.69 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB3' ' HG ' ' A' ' 80' ' ' LEU . . . -68.45 -13.14 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.395 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 62.6 51.13 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.079 0.466 . . . . 0.0 110.59 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -125.96 24.88 6.91 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.036 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 80' ' ' LEU . 80.2 tt0 46.97 100.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.688 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.0 138.92 37.68 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.69 169.25 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 86' ' ' VAL . 18.5 t -82.8 126.64 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 76.5 ttt180 36.43 -90.0 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.036 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' VAL . 79.1 t -80.21 133.34 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.146 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 16.4 p30 -89.9 129.66 36.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.85 134.94 12.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.18 134.61 48.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.572 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.8 p -83.82 162.7 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 93' ' ' LYS . 17.0 m -82.66 160.82 22.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 54.06 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 91' ' ' SER . 9.8 ttmm 72.02 23.37 3.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -61.92 -49.81 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.71 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -68.52 -45.07 73.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.492 -179.771 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.585 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.7 mm? -78.79 140.34 38.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -146.87 153.49 40.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -141.68 129.68 21.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.44 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -139.49 -23.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.89 -36.55 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -65.97 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.566 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.59 -35.77 70.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.357 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -78.49 104.87 9.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.552 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.84 -44.3 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt 42.5 46.01 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 13' ' ' VAL . 8.5 p -104.92 129.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.113 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 15' ' ' LYS . 98.5 mttt -141.41 175.04 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.385 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' LYS . 1.4 ttpp -56.7 -159.02 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.514 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.4 mp -41.6 112.4 0.31 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.171 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -108.92 117.19 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.81 136.74 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.171 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -137.08 152.93 50.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.05 124.68 49.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.015 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -112.16 120.39 41.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -89.63 114.34 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.386 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.5 m -109.08 126.75 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.068 0.461 . . . . 0.0 110.239 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -107.11 -32.14 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.597 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.24 37.87 1.79 Allowed Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 26' ' ' ILE . 9.7 tp -83.61 127.19 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.196 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' CYS . 8.2 t -113.41 132.08 55.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.193 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 27' ' ' CYS . 13.4 p 36.59 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 111.024 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 48.4 p -126.08 0.56 7.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -76.07 -6.42 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.57 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -84.99 1.59 46.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.253 -179.159 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.499 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.8 t -43.96 -57.26 6.29 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 27.5 Cg_endo -58.59 -37.29 95.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.162 1.908 . . . . 0.0 111.812 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.29 -44.52 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.414 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -33.13 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.605 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 78' ' ' ALA . 5.5 mm -62.78 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.484 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.7 mp -65.61 -38.44 89.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.37 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.97 -39.0 77.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.281 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -62.07 -38.29 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.34 144.34 51.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 51.0 p-10 -100.97 145.94 28.03 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.285 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.19 -21.38 37.79 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.7 m -70.39 131.24 34.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.94 0.4 . . . . 0.0 110.513 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -97.07 -49.84 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -157.22 163.28 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -157.17 162.8 39.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -144.37 137.22 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -111.61 120.55 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.021 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 54' ' ' SER . 63.9 mt -109.97 113.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.939 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.632 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 19.3 t -73.89 -45.7 6.8 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.801 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 39.4 Cg_endo -65.48 -15.21 48.68 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.12 1.88 . . . . 0.0 112.645 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.2 t -114.75 -1.99 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 43.88 27.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.821 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.5 m -119.98 133.51 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.063 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -109.14 127.79 65.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.38 129.94 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.19 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.98 132.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.69 122.81 56.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' ND1' HG23 ' A' ' 66' ' ' ILE . 13.3 p80 -151.72 162.52 40.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -85.65 114.27 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.88 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.7 p -51.88 -31.77 29.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.133 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.33 -53.62 34.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.82 -43.61 88.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.0 tt -147.8 135.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.93 161.57 43.72 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 -25.35 48.21 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.635 2.223 . . . . 0.0 111.703 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -63.63 -37.26 86.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.36 -41.48 89.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.36 -44.31 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.435 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.493 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -64.63 -37.35 87.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.11 94.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.76 -38.8 92.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.507 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 67.2 m-80 -61.63 -39.04 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.553 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.46 -41.13 84.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 38' ' ' ILE . . . -80.55 38.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.537 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 50.35 18.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.41 92.59 4.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 110.06 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 133.66 56.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -147.23 147.24 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 16.3 p30 -145.63 138.85 26.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.512 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.31 144.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.467 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -44.61 134.96 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.6 m -77.86 152.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 89' ' ' GLU . 60.4 t30 -63.12 138.43 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . -73.4 38.08 0.84 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 87' ' ' ASN . 82.3 tt0 58.46 146.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.534 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.5 HG22 ' H ' ' A' ' 91' ' ' SER . 2.0 m -157.67 -135.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.465 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.5 ' H ' HG22 ' A' ' 90' ' ' THR . 5.4 m 54.75 -170.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.371 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' SER . 90.7 m-85 55.43 115.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 94' ' ' ASN . 68.6 mttm -68.15 151.46 46.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 93' ' ' LYS . 18.8 p30 43.12 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.96 152.6 40.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.9 t90 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.462 179.781 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.53 144.95 56.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -75.91 118.98 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.44 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -78.11 -14.48 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.479 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.37 -38.19 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.81 -27.06 68.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -62.84 -34.74 77.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.369 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.86 142.41 58.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' LYS . 69.0 mttm -61.84 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.642 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' LYS . 17.6 tptp 58.35 147.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 13' ' ' VAL . 13.9 p -70.83 131.36 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.327 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.63 153.96 40.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -139.74 0.07 1.77 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.52 -157.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.213 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -121.26 125.28 46.7 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.912 0.387 . . . . 0.0 110.198 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -85.08 136.91 33.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -134.2 152.84 52.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.079 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.7 141.85 44.78 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.135 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' ' 84' ' ' VAL . 40.1 m-85 -131.6 151.88 51.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.057 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -128.29 113.21 15.35 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.208 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -103.34 103.25 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.21 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 26' ' ' ILE . 55.3 tp -64.97 -40.73 95.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.301 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.21 40.42 0.34 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.0 tp -89.2 130.74 38.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 110.252 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 7.9 t -128.9 130.83 47.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.794 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' OG ' ' A' ' 30' ' ' SER . 14.4 p 39.36 -160.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.959 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 32' ' ' VAL . 72.0 p -113.94 -1.3 13.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.216 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.502 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 61.9 p -76.72 -9.0 58.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.698 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.87 6.87 44.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.08 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.594 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 54.9 t -63.55 -40.55 59.04 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.551 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 38.5 Cg_exo -60.46 -42.93 36.96 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.612 2.208 . . . . 0.0 111.741 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.44 -43.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -45.0 99.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.74 -35.75 75.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.895 0.379 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.32 -37.96 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.672 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mm -62.22 -44.65 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 48' ' ' TYR . 9.8 mp -63.43 -39.59 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.533 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -58.35 -38.91 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.44 -40.13 93.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD22 ' OE1' ' A' ' 70' ' ' GLN . 67.9 mt -70.11 147.67 49.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -108.82 105.7 15.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.61 -18.37 1.0 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 45' ' ' VAL . 8.5 m -79.74 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.56 -47.7 6.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.44 159.09 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CD2' HD23 ' A' ' 39' ' ' LEU . 8.6 p90 -162.92 163.16 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t -152.59 140.45 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.376 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.55 116.03 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 54' ' ' SER . 62.6 mt -105.81 101.39 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.624 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -75.69 -40.42 3.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.5 Cg_exo -54.22 -35.36 82.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.536 2.157 . . . . 0.0 112.314 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.466 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.8 t -108.71 4.8 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 46.88 39.1 6.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.682 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 57' ' ' VAL . 25.8 m -126.45 156.58 40.42 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.1 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' N ' HG22 ' A' ' 56' ' ' THR . 61.3 t -125.59 135.18 64.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' ILE . 13.1 tt -122.39 130.12 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.291 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.47 135.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -104.62 128.52 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.682 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.456 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.4 p80 -156.72 161.48 39.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -82.59 119.39 24.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -59.06 -42.39 90.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.602 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.5 tt -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.438 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.9 tt -63.66 -46.54 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.743 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.456 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.5 tt -142.2 135.44 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.027 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -86.13 153.46 56.93 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.201 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.38 -35.68 85.09 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.376 2.05 . . . . 0.0 112.214 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -58.73 -37.7 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.408 ' OE1' HD22 ' A' ' 42' ' ' LEU . 5.5 tm0? -61.32 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.52 -44.34 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.43 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.3 92.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.774 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.72 97.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.664 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.6 mt -65.28 -38.98 91.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.719 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.22 -27.31 67.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -49.5 -32.14 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.49 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.74 34.52 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 59.5 21.91 10.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.789 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.48 177.67 5.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.19 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -135.33 69.97 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.271 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.34 142.94 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.275 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -141.68 131.12 23.76 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 85' ' ' ARG . 7.9 t -80.49 111.45 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 84' ' ' VAL . 60.9 ttp180 56.32 155.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.57 165.89 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.184 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.71 132.41 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.45 99.35 0.18 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.32 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.9 p 45.07 57.71 4.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.706 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 26.0 p -79.19 153.93 29.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CG ' ' O ' ' A' ' 91' ' ' SER . 67.9 m-85 -156.78 160.42 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -140.67 137.03 33.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -94.0 101.61 13.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -90.25 120.74 31.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.251 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.9 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.749 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.9 mm? -62.99 -41.56 99.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -140.04 151.99 45.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -84.43 179.42 7.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -91.87 3.27 55.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.01 -23.13 61.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.8 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.52 -38.63 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.414 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.93 106.33 17.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -64.88 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.788 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.78 126.45 26.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.492 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.94 -44.64 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.22 133.47 52.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 pttm -172.36 146.18 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' HD22 ' A' ' 16' ' ' LEU . 4.0 mm? 51.85 -171.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.547 ' NE2' ' O ' ' A' ' 18' ' ' LYS . 6.7 tm0? -113.15 108.92 17.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.631 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 58.8 mttp -81.73 140.26 34.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.114 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.412 ' OG ' ' CE1' ' A' ' 21' ' ' PHE . 3.1 t -141.39 147.34 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.74 135.05 49.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' CE1' ' OG ' ' A' ' 19' ' ' SER . 64.3 m-85 -125.23 130.86 52.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -98.76 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.209 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.44 114.76 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.6 mt -102.22 -9.23 20.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.34 35.3 5.11 Favored Glycine 0 N--CA 1.464 0.539 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -89.85 134.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -131.87 145.44 51.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.408 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 6.9 p 43.67 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.212 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 29' ' ' THR . 60.3 m -129.11 -6.05 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.24 -9.57 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 16.4 pt-20 -90.12 9.48 28.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.591 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 6.6 t -57.21 -42.89 98.47 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.169 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.5 Cg_exo -59.34 -34.88 97.73 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.687 2.258 . . . . 0.0 111.678 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.78 -43.16 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.467 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.88 -47.78 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.467 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -32.1 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -62.98 -39.1 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.62 -44.75 99.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.57 -40.14 96.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.275 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -56.34 -40.31 74.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.71 -40.46 95.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.548 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.0 149.15 51.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -105.11 146.61 28.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 -22.81 34.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.0 m -70.86 131.0 34.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.469 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -95.67 -49.68 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.06 164.4 35.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -157.28 161.6 39.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -146.34 118.71 8.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.6 t -89.36 121.91 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 54' ' ' SER . 60.5 mt -109.48 102.2 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.73 -40.77 4.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.46 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -54.05 -34.51 77.89 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.54 2.16 . . . . 0.0 112.13 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.3 t -108.74 2.35 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.502 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 52.16 21.47 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -106.12 139.12 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.65 130.39 67.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.32 129.86 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.51 133.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.462 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.0 t -104.05 123.44 57.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.999 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.45 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.8 p80 -153.27 166.07 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.632 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -90.13 120.63 31.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.093 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -56.72 -37.82 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.735 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 64' ' ' LEU . 4.0 mm? -61.58 -50.92 70.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.922 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.78 -45.02 72.41 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.45 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.2 tt -148.6 133.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.608 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.02 162.37 30.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.79 -34.96 92.74 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.577 2.185 . . . . 0.0 112.349 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -56.59 -39.74 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.7 -43.28 97.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.523 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.47 -44.06 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.7 95.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -63.49 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.05 96.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.24 -39.06 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -61.23 -38.9 88.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.521 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.05 -37.75 64.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.57 13.76 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.627 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 57.4 21.92 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.9 -16.77 54.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 55.85 107.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.563 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.3 148.4 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -151.74 148.3 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.03 135.15 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -40.69 121.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.773 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 p -140.07 150.37 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.127 0.489 . . . . 0.0 110.348 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 27.9 p30 -63.39 144.29 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.413 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.4 173.98 44.93 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -129.5 134.2 47.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 p -136.11 158.79 43.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 92' ' ' PHE . 46.9 t -144.88 137.8 26.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.389 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 91' ' ' SER . 79.1 m-85 40.57 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.486 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -139.9 109.05 6.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.03 -40.59 98.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.574 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.27 149.17 50.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.432 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 96' ' ' TRP . 73.5 t-105 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.8 mm? -82.35 137.47 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.469 ' NE2' ' OE1' ' A' ' 7' ' ' GLU . 98.3 mm-40 -70.02 124.59 24.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.292 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 7' ' ' GLU . 64.3 t30 -141.02 106.32 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.33 7.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.5 mt-10 -64.84 -19.13 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.26 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.47 -36.27 83.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -152.17 104.64 2.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -64.13 -47.28 80.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HZ3' ' HD3' ' A' ' 14' ' ' LYS . 22.9 pttp -145.52 149.82 35.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.655 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 14' ' ' LYS . 14.1 p -65.68 -29.96 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.593 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' LYS . 28.1 tptp 57.15 115.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.433 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' LYS . 54.8 tttt 52.66 170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.5 mm? 53.42 167.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -145.44 108.44 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -78.53 136.31 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.023 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 t -141.21 144.45 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.227 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -106.27 136.44 45.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.098 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 27.3 m-85 -122.99 135.83 54.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -108.6 107.42 17.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -98.42 96.62 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 26' ' ' ILE . 56.2 tp -64.05 -41.66 97.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.33 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.47 36.95 0.34 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.5 tt -89.64 131.61 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.278 . . . . 0.0 110.445 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.9 t -116.59 128.84 55.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 40.13 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.665 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.58 ' O ' HG22 ' A' ' 29' ' ' THR . 55.5 m -111.68 -3.74 14.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.456 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 57.7 p -76.18 -7.34 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.65 8.67 33.16 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.402 0.439 . . . . 0.0 110.176 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 15.7 t -62.49 -41.71 75.17 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.3 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 36.4 Cg_exo -59.08 -44.63 33.17 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.685 2.257 . . . . 0.0 111.836 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.49 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.68 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.46 -44.75 99.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.21 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.54 -33.82 75.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.33 -39.16 89.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.752 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.3 mp -63.1 -38.98 93.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.414 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.82 -40.98 85.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -62.65 -32.71 73.81 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.543 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -73.6 146.0 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -103.54 142.85 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.204 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 -16.67 45.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 45' ' ' VAL . 17.1 m -73.84 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.361 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -98.2 -53.49 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -153.15 159.26 42.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.762 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.456 ' CD2' HD23 ' A' ' 39' ' ' LEU . 8.9 p90 -160.89 162.53 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 t -150.58 136.89 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.4 115.56 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.019 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.467 HG22 ' H ' ' A' ' 54' ' ' SER . 68.0 mt -109.15 100.11 10.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.631 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.34 -39.59 3.18 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.767 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -53.6 -36.25 80.2 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.478 2.119 . . . . 0.0 112.345 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.467 ' H ' HG22 ' A' ' 51' ' ' ILE . 46.5 t -106.52 -0.75 23.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 53.38 43.46 31.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.7 m -134.03 147.39 50.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.7 t -120.22 130.52 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.8 tt -116.04 129.7 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.118 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.27 138.22 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.44 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.41 125.84 68.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.468 ' ND1' HG23 ' A' ' 66' ' ' ILE . 24.6 p80 -153.41 163.52 39.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.608 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -86.06 115.47 23.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -53.9 -20.49 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.612 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.66 -43.31 94.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.468 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.4 tt -145.48 139.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.12 162.19 22.93 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.46 -35.24 96.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.459 2.106 . . . . 0.0 112.273 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.87 -41.24 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.32 -42.39 96.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.37 -44.55 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.38 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.31 -38.3 90.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.08 -40.14 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -60.51 -27.07 67.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.637 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 79' ' ' ARG . 96.7 mt-10 -49.36 -38.2 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 80' ' ' LEU . . . -78.14 22.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.529 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 77' ' ' GLU . 13.2 tpp180 70.36 25.59 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 78' ' ' ALA . 11.0 mp -99.55 179.16 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.065 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -136.06 73.93 1.48 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.183 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.71 138.39 52.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.103 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -132.4 134.38 45.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.24 106.9 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 39.89 87.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.99 133.73 30.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -150.53 78.95 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.07 164.54 53.73 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.02 127.76 33.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.568 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 p -85.3 -68.06 0.76 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.8 p -161.03 162.21 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 51.5 p90 -146.37 134.92 22.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.379 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -77.68 -74.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.95 91.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.606 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -63.29 -42.19 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.469 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 tp 39.48 71.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -172.91 80.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.212 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -142.64 -3.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.332 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -66.64 -35.47 80.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.77 -34.88 76.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.89 -39.8 94.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' LYS . 80.3 mm-40 -69.14 -26.18 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.623 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' GLU . 18.1 ptpt 38.77 -161.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.5 -42.75 86.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.491 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? 56.62 105.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.242 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.67 160.12 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.321 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -152.13 -81.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -146.62 16.01 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.625 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.6 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.6 mm? -76.23 149.44 37.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -107.87 108.62 19.87 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.3 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -90.82 139.16 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.262 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.6 m -137.26 149.37 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.075 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -105.51 124.58 49.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.5 m-85 -107.07 118.0 35.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.1 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 59.8 t0 -85.87 104.92 15.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.21 113.67 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.533 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.8 mm? -93.45 -10.06 36.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.08 31.79 7.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 26' ' ' ILE . 15.9 tt -87.08 128.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.0 t -113.13 130.85 56.05 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.498 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.9 p 39.72 -158.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.588 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -6.29 11.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.248 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.431 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 67.0 p -69.63 -12.62 61.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.75 -4.16 59.09 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -49.28 -56.71 14.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -54.37 -39.73 86.0 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.124 1.883 . . . . 0.0 112.268 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.8 -43.3 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.464 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.48 -44.49 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.277 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.92 -33.87 76.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.937 0.398 . . . . 0.0 110.701 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.2 t-20 -62.29 -39.25 92.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.99 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.594 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.2 mp -64.32 -37.76 88.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 0.0 110.14 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.68 -41.14 81.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.505 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.8 p -63.17 -33.91 76.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.34 148.31 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 50.8 p30 -104.86 150.3 24.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.32 -21.24 47.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 45' ' ' VAL . 15.6 m -69.05 133.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.39 . . . . 0.0 110.333 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -95.0 -54.06 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -157.65 162.81 38.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.3 p90 -158.35 162.49 37.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -146.71 134.53 21.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 t -100.0 116.5 43.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 54' ' ' SER . 66.1 mt -111.72 99.54 8.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.643 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -74.63 -39.41 3.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.576 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 42.8 Cg_exo -56.26 -28.81 73.38 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.444 2.096 . . . . 0.0 112.296 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' H ' HG22 ' A' ' 51' ' ' ILE . 56.6 p -118.16 16.51 14.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.701 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.4 ptm180 34.4 41.63 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.313 0.383 . . . . 0.0 111.001 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -125.44 136.44 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.25 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.2 t -114.87 131.8 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' ILE . 12.9 tt -125.83 131.54 71.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.192 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.66 135.23 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.529 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.53 128.18 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.611 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.497 ' HD1' HG23 ' A' ' 66' ' ' ILE . 14.8 p80 -158.24 161.67 37.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -88.68 118.1 28.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.087 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -53.34 -37.24 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.36 -53.02 61.98 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.89 -43.92 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.621 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' HD1' ' A' ' 61' ' ' HIS . 19.7 tt -150.26 131.4 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 163.01 36.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.53 -34.05 94.2 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.469 2.113 . . . . 0.0 112.038 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -57.16 -42.66 81.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.72 -43.33 90.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.304 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -44.22 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.09 -45.27 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -62.04 -40.46 95.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.636 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.63 87.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.88 -37.26 85.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 49.1 m-80 -59.83 -38.74 82.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.341 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.41 -33.48 54.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' CB ' HD13 ' A' ' 80' ' ' LEU . . . -80.19 -7.56 59.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.0 110.611 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.458 ' C ' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER 71.0 46.43 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 79' ' ' ARG . 8.7 mp -105.01 10.44 34.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.215 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 44.8 65.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.241 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.65 147.13 25.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.437 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -158.55 136.01 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.412 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t -54.31 147.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -39.69 119.2 0.94 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.8 t -93.12 116.53 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -150.27 98.6 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.64 156.75 7.47 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -159.13 108.08 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.672 0.272 . . . . 0.0 110.29 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.7 m -125.56 129.46 49.75 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -155.42 159.57 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -156.33 138.62 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -153.01 136.43 15.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 96' ' ' TRP . 66.5 t30 -170.76 92.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.18 -41.64 98.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.489 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 3.8 m-90 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.49 124.59 50.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -120.55 12.67 11.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' C ' ' H ' ' A' ' 7' ' ' GLU . 29.1 t-20 -45.24 -86.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.582 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 55.08 9.4 0.32 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.6 mt-10 -69.14 -34.58 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.73 -34.24 76.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.0 -44.96 91.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -87.89 48.7 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.724 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 63.7 pttt -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.606 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 11' ' ' LYS . 63.4 tttm 58.59 122.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 13' ' ' VAL . 30.3 m -87.7 171.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 56.6 75.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -148.54 161.97 40.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.4 mt 59.16 -172.27 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -108.95 117.99 35.64 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.857 0.36 . . . . 0.0 110.392 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 99.96 11.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.801 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -92.26 151.23 20.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.141 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.14 132.5 50.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.018 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 24.2 m-85 -119.52 129.61 54.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.995 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -99.49 114.34 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -100.08 111.01 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.199 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.2 mt -94.89 -6.88 41.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.94 28.27 13.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' ILE . 16.6 tt -85.13 130.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 2.8 t -116.07 130.57 56.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 41.91 -168.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.814 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 p -102.39 -9.61 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.193 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -65.85 -17.3 64.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.47 -2.21 58.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -53.24 -56.68 21.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 28.0 Cg_endo -59.18 -31.9 96.15 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.076 1.851 . . . . 0.0 112.224 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.3 -43.53 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.32 -43.65 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.22 -32.84 73.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -61.15 -39.88 91.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.494 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 34.7 mm -62.83 -45.65 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.546 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.8 mp -63.32 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.63 -41.07 80.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 87.8 p -64.09 -33.26 75.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.94 146.31 41.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.643 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 53.1 t0 -101.68 151.3 22.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.258 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 99.52 -24.42 32.28 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.8 m -68.14 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.443 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -99.77 -55.29 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.16 161.72 42.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -158.69 159.73 35.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -143.21 133.99 25.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -100.25 113.72 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 54' ' ' SER . 66.3 mt -108.5 100.21 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.633 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -39.77 3.41 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.3 Cg_exo -54.63 -34.54 83.67 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.543 2.162 . . . . 0.0 112.185 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.1 t -108.1 2.28 22.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 48.61 38.21 10.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -125.77 131.98 52.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.361 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.59 129.07 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.137 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.4 tt -120.79 132.19 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.381 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -142.72 134.26 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 t -103.87 124.51 58.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.618 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.487 ' ND1' HG23 ' A' ' 66' ' ' ILE . 13.9 p80 -155.13 156.54 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -80.66 119.33 23.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.226 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -57.02 -30.03 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.7 -53.23 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.784 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.1 -43.99 85.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.014 0.435 . . . . 0.0 110.815 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.487 HG23 ' ND1' ' A' ' 61' ' ' HIS . 18.3 tt -148.25 135.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.146 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 162.12 28.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.774 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.38 -33.76 86.64 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.499 2.132 . . . . 0.0 112.292 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.84 -42.3 79.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.708 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.68 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.618 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.53 -38.85 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' ' 38' ' ' ILE . . . -58.74 -45.21 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.52 -39.25 93.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -60.45 -39.47 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.35 -39.05 89.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.63 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HB3' HD23 ' A' ' 80' ' ' LEU . . . -81.11 4.5 19.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 61.28 47.09 7.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.459 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 78' ' ' ALA . 4.3 mm? -100.8 -3.13 30.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.542 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' LEU . 78.3 tt0 42.53 94.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.945 0.403 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.87 158.2 43.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -150.18 168.93 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.333 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 85' ' ' ARG . 16.2 t -92.31 111.82 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.538 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' O ' ' O ' ' A' ' 84' ' ' VAL . 79.1 ttt-85 57.56 133.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.621 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 p -143.97 143.6 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 88' ' ' GLY . 20.5 p30 -63.02 -40.3 97.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.215 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . 71.55 159.71 3.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -164.95 113.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.777 0.323 . . . . 0.0 110.251 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.5 p -83.26 162.19 21.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -161.21 161.98 31.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -148.27 153.26 38.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.364 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -85.48 -78.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -166.3 135.46 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.5 132.55 47.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.524 ' OXT' ' CD1' ' A' ' 96' ' ' TRP . 76.8 t-105 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.644 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.27 -42.79 99.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.475 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 49.84 86.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.53 -36.94 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -62.2 -38.74 90.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.389 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.67 -40.04 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.436 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -38.95 84.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.89 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -83.55 123.35 29.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.45 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.54 -44.67 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.676 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.7 tttp 40.45 61.87 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 14' ' ' LYS . 33.3 m -61.64 -42.94 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.568 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' N ' HG23 ' A' ' 13' ' ' VAL . 46.9 tttp 53.57 167.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 56.0 mtpt -60.79 -40.63 93.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.352 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.6 mm? -80.88 137.06 36.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -108.1 108.87 20.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.04 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -97.17 115.36 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.198 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -110.57 151.14 27.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -101.99 123.73 46.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.135 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 38.6 m-85 -107.2 125.72 51.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -86.76 109.35 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.58 111.32 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 24' ' ' LEU . 9.5 mp -94.26 -22.75 18.19 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.13 21.72 7.86 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 26' ' ' ILE . 17.5 tt -87.19 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.377 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -120.58 135.4 55.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.794 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 29' ' ' THR . 14.3 p 38.99 -139.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.604 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -133.32 -4.48 3.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 110.733 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.451 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 85.1 p -64.17 -19.15 65.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.65 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 55.1 mp0 -87.6 4.26 44.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -50.52 -56.63 17.33 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.679 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.6 Cg_endo -58.53 -32.43 96.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.193 1.929 . . . . 0.0 112.033 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mm -68.08 -43.16 85.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.406 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.98 -44.18 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.459 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -61.68 -39.01 89.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.0 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.9 mp -64.67 -38.72 91.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.746 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -57.83 -34.81 70.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -58.01 -24.36 57.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.403 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.1 mt -80.73 -164.95 0.79 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 22.5 p-10 -143.95 -53.88 0.35 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.39 -16.34 2.26 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 45' ' ' VAL . 20.9 m -74.53 131.56 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -100.15 -52.32 3.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 160.42 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 39' ' ' LEU . 6.8 p90 -159.76 162.02 34.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 t -144.98 137.41 26.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.433 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -97.03 116.46 39.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.151 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' SER . 65.2 mt -111.28 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.383 0.611 . . . . 0.0 110.147 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.678 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.17 -34.94 1.77 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.059 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.3 Cg_exo -55.33 -37.26 94.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.124 1.883 . . . . 0.0 112.098 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.41 ' H ' HG22 ' A' ' 51' ' ' ILE . 84.9 p -110.67 2.11 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.597 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 55.56 52.82 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.7 m -136.99 152.77 50.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.9 133.59 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' ILE . 11.9 tt -127.4 131.48 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.359 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.89 134.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.456 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.03 125.27 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' ND1' HG23 ' A' ' 66' ' ' ILE . 22.1 p80 -150.37 161.09 43.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -88.22 119.59 28.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.108 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -53.8 -23.78 13.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.25 -54.97 6.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.8 tt -146.1 149.1 16.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.425 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.69 162.3 20.13 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.22 -33.41 95.93 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.524 2.149 . . . . 0.0 112.125 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.44 -40.42 91.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.2 -40.71 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.21 -44.29 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.48 91.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.582 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -63.27 -40.64 97.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.73 91.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.377 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.63 -37.73 87.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.52 -38.44 87.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.575 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.0 -37.94 75.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.518 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.61 -1.35 37.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 63.23 40.1 9.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.274 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 81' ' ' GLU . 9.2 mp -102.05 -3.14 28.11 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 80' ' ' LEU . 96.6 mt-10 56.78 123.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.452 0.47 . . . . 0.0 110.342 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.44 137.49 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 110.362 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.44 127.4 29.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.35 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' ARG . 99.1 t -69.18 151.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.816 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' VAL . 6.0 mtm180 -32.31 105.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.643 0.589 . . . . 0.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 32.6 m -83.81 154.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 55.45 34.52 23.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.38 134.33 6.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -162.13 121.52 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.419 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 m -65.02 -71.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 t 51.38 86.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -99.32 118.39 35.87 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -84.29 130.38 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -89.03 109.01 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.486 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -94.94 143.51 26.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.395 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 91.5 t90 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.372 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.596 ' H ' HD22 ' A' ' 3' ' ' LEU . 3.8 mm? 42.97 89.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.66 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.593 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 1.2 pm0 -96.93 3.94 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.35 118.21 12.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.18 3.04 43.5 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.24 -39.06 91.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.472 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -65.55 -33.61 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -63.06 -33.66 75.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.69 130.2 45.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -64.16 -41.55 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 53.57 15.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.326 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t 43.16 69.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.23 -83.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -140.27 100.09 3.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.7 mt 40.4 -158.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -113.72 115.59 28.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.098 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.1 138.6 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -133.42 151.53 51.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -105.17 134.52 48.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.1 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 43.6 m-85 -120.97 132.66 55.06 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.044 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.8 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.09 88.18 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -66.38 -41.39 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.204 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 31.63 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.536 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.6 tp -89.35 130.05 39.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.248 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -132.6 141.29 48.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.914 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 7.6 p 43.78 -169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.59 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 p -122.11 -8.61 8.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.382 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.0 t -66.11 -20.91 66.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 12.7 pt-20 -91.04 9.66 29.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.39 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t -60.49 -42.4 88.38 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 31.3 Cg_exo -58.9 -33.91 98.85 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.652 2.235 . . . . 0.0 111.56 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.08 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.427 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.91 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.586 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -63.78 -34.48 78.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.19 -40.24 96.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.12 -44.43 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.52 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.418 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.93 -38.71 83.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.298 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.8 m -61.48 -36.18 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.694 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.76 148.13 46.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 55.3 p-10 -104.67 148.67 26.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.257 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.35 -21.9 41.12 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' VAL . 15.9 m -72.11 130.37 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 0.0 110.402 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -93.64 -51.4 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.35 161.28 41.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -162.5 162.14 27.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -149.97 142.25 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.09 118.41 45.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 54' ' ' SER . 66.3 mt -109.67 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.23 0.538 . . . . 0.0 110.104 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.674 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.47 -34.39 1.58 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.953 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 43.0 Cg_exo -55.29 -37.86 94.18 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.086 1.857 . . . . 0.0 112.354 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 51' ' ' ILE . 85.7 p -111.78 3.54 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.564 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.46 52.78 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.678 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 57' ' ' VAL . 73.1 m -135.43 155.63 50.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.296 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' N ' HG22 ' A' ' 56' ' ' THR . 62.6 t -128.0 133.23 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ILE . 13.9 tt -125.7 129.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.269 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.12 136.99 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.35 125.39 63.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.485 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.2 p80 -156.08 159.93 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.487 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -86.34 117.54 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 t -54.5 -22.89 14.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.64 -55.17 6.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.555 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.04 -42.93 93.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.485 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.5 tt -148.38 133.81 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.02 162.22 31.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.09 -34.34 92.48 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.626 2.217 . . . . 0.0 112.183 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -56.79 -40.25 75.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -64.09 -42.89 96.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.03 -44.76 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.44 -39.81 85.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -64.27 -38.56 91.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.03 92.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.03 -39.14 89.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ARG . 29.9 m120 -61.45 -34.76 75.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' A' ' 79' ' ' ARG . 81.1 mm-40 -48.68 -38.05 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.613 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 15.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.502 ' H ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 70.88 33.02 2.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 79' ' ' ARG . 10.8 mp -105.37 -168.8 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -144.55 74.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.384 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.3 155.73 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.259 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -151.62 140.57 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.246 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 85' ' ' ARG . 6.8 t -88.99 110.16 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 0.0 110.235 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' VAL . 11.0 tpp85 39.31 92.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.83 132.79 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.454 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -138.64 115.16 10.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.86 12.88 59.28 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.03 -39.1 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 110.608 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.1 p -107.32 126.69 52.77 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.348 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 m -153.56 152.82 31.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.75 156.06 35.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 94' ' ' ASN . 25.7 pttm -167.42 -165.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 94' ' ' ASN . 4.7 p-10 43.92 48.07 7.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.639 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 4' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 3' ' ' LEU . 9.8 mp 56.01 -75.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.675 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 2' ' ' ALA . 78.9 mt-30 53.11 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.558 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.6 OUTLIER -68.09 90.93 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -83.49 -12.87 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 10' ' ' LYS . 96.9 mt-10 -62.15 -18.02 59.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.536 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.95 -31.95 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.61 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 7' ' ' GLU . 17.3 tptm -118.86 124.92 48.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 12' ' ' LYS . 40.1 mmtm -64.09 -44.18 93.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 11' ' ' LYS . 56.8 tttp 45.28 98.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 129.69 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -157.7 148.17 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 16' ' ' LEU . 46.5 tttp 39.89 -131.76 0.28 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.4 mm? 53.76 167.75 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.629 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -141.02 114.18 8.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -81.86 137.22 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -137.72 142.68 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.39 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.99 135.47 44.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.283 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 m-85 -120.83 131.48 54.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.43 . . . . 0.0 110.212 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -90.33 117.12 28.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 82' ' ' ALA . 2.9 m -111.78 127.17 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.214 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -114.61 -28.42 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.685 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.33 12.69 9.23 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' ILE . 16.4 tt -89.46 131.19 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 30.0 p -132.09 137.81 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.441 ' SG ' ' C ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 58.65 165.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.427 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 t -98.47 0.6 45.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.9 t -74.95 -12.47 60.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 56.0 mp0 -91.68 9.23 33.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.686 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.63 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 41.5 t -62.03 -41.37 75.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.0 Cg_exo -61.16 -42.68 34.04 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.847 2.365 . . . . 0.0 111.817 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.34 -43.31 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.255 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.0 -44.77 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.256 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.14 -33.19 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -63.99 -37.38 87.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.25 -45.25 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 39' ' ' LEU . 10.5 mp -63.88 -38.86 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.507 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -57.79 -37.97 74.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.223 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -61.82 -39.61 92.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.404 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.15 144.93 53.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 43.1 p-10 -104.84 112.56 25.72 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -20.76 2.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 45' ' ' VAL . 12.4 m -72.07 131.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.551 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.98 -47.92 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.49 159.7 41.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.401 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.3 p90 -162.4 161.25 27.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 t -147.96 134.31 19.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.45 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 t -100.16 116.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.458 HG22 ' H ' ' A' ' 54' ' ' SER . 55.1 mt -115.21 100.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 109.986 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.65 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.94 -39.56 3.42 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 178.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.1 Cg_exo -55.2 -33.13 83.32 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.739 2.293 . . . . 0.0 111.808 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.458 ' H ' HG22 ' A' ' 51' ' ' ILE . 10.1 t -108.82 1.09 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.394 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 49.39 39.29 16.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.2 m -125.48 139.78 53.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.75 131.12 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.6 tt -124.42 130.44 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.594 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.07 134.54 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.561 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.46 128.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.314 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.3 p80 -155.79 158.63 38.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.75 116.18 18.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.415 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -58.05 -41.91 84.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.47 -48.79 78.07 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.987 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.1 tt -67.38 -46.87 72.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 110.486 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG23 ' ND1' ' A' ' 61' ' ' HIS . 18.2 tt -142.08 136.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.399 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.14 159.8 47.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.43 -27.27 62.61 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.731 2.287 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.28 -36.87 83.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.362 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.88 -38.63 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.41 -43.84 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.341 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.11 98.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.91 -39.97 96.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.94 89.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.428 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -60.39 -39.69 88.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.426 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -54.41 -38.79 66.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.42 4.4 18.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 60.02 40.66 18.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 110.277 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 81' ' ' GLU . 4.1 tp -97.18 -2.8 42.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' LEU . 36.8 tp10 49.86 101.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.449 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -142.01 149.48 40.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -149.83 139.6 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.73 139.81 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -44.14 141.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.1 m -114.48 135.75 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.504 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -54.19 118.14 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.49 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.4 -133.26 3.29 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 56.98 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -133.38 159.11 41.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -148.5 148.58 30.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.469 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -89.24 120.43 30.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -161.55 22.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -61.87 -40.57 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -70.56 133.98 47.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 89.8 t90 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.528 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.6 mm? -80.37 138.85 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -82.48 173.8 11.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 7' ' ' GLU . 16.0 t-20 57.03 49.47 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -52.21 -9.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.0 mt-10 -55.02 -17.27 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -62.05 -37.64 85.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -76.62 71.01 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.622 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.48 119.63 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.2 m -140.13 160.32 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.11 139.21 41.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.462 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.68 143.13 26.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -93.22 -137.4 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.281 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -103.72 121.66 43.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -98.64 140.81 32.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -147.87 151.75 36.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.27 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -89.66 129.92 36.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.403 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 84.3 m-85 -120.36 104.71 10.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.03 137.82 40.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.083 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.5 m -127.22 131.29 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.561 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -105.66 -29.41 10.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.99 29.77 2.7 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.4 tp -85.19 131.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.611 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.8 t -130.27 129.88 43.85 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.174 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 15.7 p 39.98 -163.54 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.971 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -110.47 -4.01 15.76 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.13 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -76.73 -10.21 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.39 6.01 47.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.35 179.539 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 79.4 t -63.87 -38.48 37.11 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 30.8 Cg_exo -62.68 -38.53 49.43 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -65.38 -44.64 94.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.98 -43.69 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.532 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.07 -32.06 73.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.756 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -62.45 -40.14 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.868 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.6 mm -62.03 -47.41 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.765 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.0 mp -62.21 -37.95 87.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.287 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.41 -41.69 85.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.204 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -65.16 -32.62 74.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.37 150.34 38.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -107.59 146.46 31.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.3 -20.69 39.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 45' ' ' VAL . 11.6 m -72.83 130.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.377 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -97.61 -54.3 3.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.22 159.52 44.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.132 0.491 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.46 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.1 p90 -157.85 160.91 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t -146.5 133.3 20.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.165 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -101.27 112.18 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.437 HG22 ' H ' ' A' ' 54' ' ' SER . 64.6 mt -108.41 100.14 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -74.44 -39.56 3.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.622 179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.9 -33.91 73.92 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.229 1.953 . . . . 0.0 112.069 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.437 ' H ' HG22 ' A' ' 51' ' ' ILE . 47.4 t -109.93 3.41 20.51 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 48.62 39.64 13.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.714 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.7 m -127.35 134.53 49.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.09 129.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -118.58 130.36 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.145 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' A' ' 21' ' ' PHE . 3.8 p -140.94 137.99 34.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.897 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.8 t -108.82 127.29 65.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.446 ' ND1' HG23 ' A' ' 66' ' ' ILE . 19.7 p80 -156.64 159.53 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.554 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.15 120.94 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.402 . . . . 0.0 110.163 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -59.36 -42.46 91.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.9 mm? -61.91 -46.52 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 65' ' ' LEU . 5.9 tt -68.52 -46.74 68.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.562 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.446 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.8 tt -140.73 135.7 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.153 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.484 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . 70.2 m -76.92 148.41 78.86 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.313 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.94 -48.89 17.48 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.753 1.635 . . . . 0.0 112.74 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.484 ' CE2' ' CB ' ' A' ' 67' ' ' SER . 14.4 p90 -55.58 -29.7 59.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -56.72 -40.77 76.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.245 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.73 -43.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.81 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.93 -41.33 99.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.12 98.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.33 -39.84 92.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.838 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 79' ' ' ARG . 65.8 mm-40 -54.96 -39.16 68.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.483 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.28 30.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 77' ' ' GLU . 5.2 mmp_? 55.15 27.15 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 tt -118.48 98.95 6.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.946 0.403 . . . . 0.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -54.52 126.84 25.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.571 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.439 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -154.7 147.27 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.392 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -154.77 168.3 27.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.39 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 85' ' ' ARG . 9.0 t -95.09 103.61 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.447 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 84' ' ' VAL . 41.3 ttm180 57.56 133.74 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.47 123.7 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.331 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -64.66 -40.49 95.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.462 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.72 153.98 26.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -92.59 116.01 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.481 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 91' ' ' SER . 15.3 t -65.28 -40.94 94.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.486 ' N ' HG23 ' A' ' 90' ' ' THR . 2.8 m 60.51 146.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -148.73 154.56 39.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 52.88 86.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.475 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -94.47 11.51 30.5 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.43 -40.39 96.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.379 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.425 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.97 -43.21 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.84 133.1 46.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.359 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 7' ' ' GLU . 18.2 t-20 -138.47 112.71 8.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp 51.95 9.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 5' ' ' ASN . 42.6 tp10 -66.96 -37.93 85.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.294 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -65.57 -34.67 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.323 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -64.48 -36.28 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.467 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.83 59.78 2.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 32.7 tptt -64.09 -34.76 78.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.486 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 37.0 tttt 77.49 -153.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.25 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.3 135.23 54.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -151.95 141.9 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.251 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.87 -110.13 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt 53.36 -168.31 0.06 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.016 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -123.36 114.95 20.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.391 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -82.92 103.86 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.996 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 t -100.66 139.02 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.385 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -103.74 133.65 48.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.804 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 32.5 m-85 -122.67 134.02 54.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.168 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.82 107.3 18.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -93.59 91.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.53 -39.73 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.47 44.49 1.43 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 26' ' ' ILE . 9.3 tp -89.73 129.6 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.243 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 t -125.81 129.61 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.0 p 40.66 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.678 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -7.25 15.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.173 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -68.54 -15.52 63.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.3 -5.03 59.21 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -55.45 -57.08 22.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 14.9 Cg_endo -53.9 -37.53 85.53 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.357 2.038 . . . . 0.0 112.235 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.8 mp -65.13 -43.55 95.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.65 -44.64 99.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.08 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -63.56 -39.17 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.23 -44.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.4 mp -63.52 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -58.07 -40.96 82.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 t -62.07 -41.23 97.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.74 146.14 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -103.8 148.08 26.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -23.28 34.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.2 m -66.51 132.19 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -98.76 -55.72 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.89 158.58 43.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.464 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CD2' HD23 ' A' ' 39' ' ' LEU . 9.7 p90 -157.73 162.74 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.759 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -145.36 132.39 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -100.85 114.48 40.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.187 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -111.32 97.9 6.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -74.17 -38.99 3.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.534 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 36.0 Cg_exo -56.52 -29.92 80.45 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.731 2.287 . . . . 0.0 112.157 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.5 t -112.35 0.99 15.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 50.46 34.74 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.4 m -121.19 134.68 55.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.56 131.78 66.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.909 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.5 tt -125.33 130.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.99 131.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.45 125.84 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' ND1' HG23 ' A' ' 66' ' ' ILE . 12.0 p80 -153.68 157.83 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -82.69 117.04 22.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.058 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -52.55 -36.75 56.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.186 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 tp -63.09 -51.7 65.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.59 -45.01 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.012 0.434 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' ND1' ' A' ' 61' ' ' HIS . 15.9 tt -147.23 138.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.677 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 160.67 39.57 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.34 -29.16 63.3 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.849 2.366 . . . . 0.0 111.715 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.05 -43.12 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.437 ' OE1' ' CD1' ' A' ' 66' ' ' ILE . 46.9 tt0 -63.6 -42.48 98.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.658 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.29 -44.57 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.22 89.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.53 -41.16 98.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.61 83.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.32 -42.52 96.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.43 -39.13 93.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.716 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 79' ' ' ARG . 66.0 mm-40 -51.68 -34.52 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.481 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.07 35.1 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.494 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 77' ' ' GLU . 89.7 mtm180 55.66 21.54 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.782 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.53 -174.32 2.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.302 0.573 . . . . 0.0 109.883 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -138.67 117.18 12.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.366 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.95 157.39 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -153.38 160.26 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 85' ' ' ARG . 16.3 t -87.58 110.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 84' ' ' VAL . 36.5 ttm180 56.53 155.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.374 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.49 130.86 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.401 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -67.08 117.96 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 171.05 117.88 0.44 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.96 -169.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -77.47 168.76 19.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.52 ' OG ' ' CD2' ' A' ' 92' ' ' PHE . 54.3 p -150.3 -149.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD2' ' OG ' ' A' ' 91' ' ' SER . 94.5 m-85 54.31 103.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.14 138.66 38.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.53 -40.76 97.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 tttp 57.73 63.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.529 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -63.37 -47.96 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.31 0.576 . . . . 0.0 110.428 -179.174 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 42.69 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.425 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.575 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.7 OUTLIER -161.55 83.52 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -81.82 -9.41 59.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.61 -36.37 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.99 -36.05 81.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' VAL . 98.7 mttt -75.45 -12.79 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.83 -35.09 77.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.7 -40.19 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' LYS . 72.3 t -99.68 130.56 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -137.42 133.8 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 16' ' ' LEU . 98.6 mttt -142.26 -99.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.652 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.5 mm? 45.74 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.441 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -127.82 111.37 13.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.233 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -79.47 137.66 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.324 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -147.5 144.03 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.275 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -104.84 130.12 53.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -113.42 116.86 30.3 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.401 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.0 108.74 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.05 129.94 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.182 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.27 -1.33 28.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.435 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.65 19.18 38.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 26' ' ' ILE . 17.4 tt -83.54 130.63 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.353 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.8 t -113.1 130.8 56.06 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.9 p 40.47 -164.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.636 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 29' ' ' THR . 55.1 m -108.78 -11.79 15.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.462 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.474 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 59.8 p -66.92 -14.47 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.12 -5.15 59.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -48.92 -56.7 13.99 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.026 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 16.7 Cg_endo -54.88 -42.08 72.35 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.618 2.212 . . . . 0.0 111.888 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.5 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.421 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.85 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.24 -34.29 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.452 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.62 -38.84 86.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.53 -44.27 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.569 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.71 -38.75 75.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.86 147.39 52.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.257 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 40.4 p-10 -106.85 111.99 24.76 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.94 -15.89 2.82 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.0 m -78.41 132.03 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -100.45 -47.43 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.67 157.37 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -158.4 160.28 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 p -146.87 128.36 15.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.08 109.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.454 HG22 ' H ' ' A' ' 54' ' ' SER . 67.0 mt -108.28 102.04 13.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.0 110.095 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.62 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.49 -41.1 4.59 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.305 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.53 -32.39 63.27 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.0 t -110.04 1.38 18.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.454 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 48.91 37.43 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.6 m -127.51 134.21 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.29 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.79 131.37 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 pt -124.09 136.37 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.96 136.53 26.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.453 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.93 126.24 59.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.432 ' ND1' HG23 ' A' ' 66' ' ' ILE . 21.7 p80 -153.01 162.64 41.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.689 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -81.25 118.71 22.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 t -60.67 -42.64 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.809 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.52 -47.03 85.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.828 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 65' ' ' LEU . 1.9 tt -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.412 0.625 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.0 tt -143.34 137.13 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 p -89.96 155.22 47.56 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.85 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.22 -34.58 79.81 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.531 2.154 . . . . 0.0 112.332 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -56.42 -38.09 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.625 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.66 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -44.4 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -66.53 -40.98 89.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.728 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.19 -43.79 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.44 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.23 81.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.07 -41.45 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ALA . 81.0 m-20 -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.761 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -49.68 -24.74 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.27 31.65 0.45 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 58.28 27.95 15.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.53 -173.55 2.33 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.067 0.461 . . . . 0.0 109.99 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -135.72 66.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.639 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . -89.06 147.27 24.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.539 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -150.04 169.23 21.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' ARG . 64.7 t -102.38 104.1 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 84' ' ' VAL . 79.0 ttt-85 57.84 141.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.598 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -100.82 128.83 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -65.42 -93.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.481 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.47 131.6 10.7 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -83.85 125.51 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.1 m -114.86 121.38 43.06 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.3 t -83.76 -116.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 40.6 57.71 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 94' ' ' ASN . 98.6 mttt -63.46 -40.8 98.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' LYS . 82.3 m-20 50.73 176.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 94' ' ' ASN . 30.2 mmtp 47.08 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 26.8 p90 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.465 -179.693 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.58 144.2 41.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.562 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.84 135.6 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -140.59 14.26 2.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.62 -32.38 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -48.96 -20.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.17 -37.66 86.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.544 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.06 -25.35 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 60.71 80.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.18 -43.06 99.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 57.62 89.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.378 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 15' ' ' LYS . 14.9 p -127.53 133.84 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -107.4 43.24 1.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.346 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 13' ' ' VAL . 68.6 mttm -103.41 71.45 1.1 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.465 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.8 mm? -86.54 134.92 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -108.15 108.18 19.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.31 141.48 35.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.198 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -148.85 157.27 43.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.61 127.28 53.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.214 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 41.5 m-85 -110.93 115.68 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' OD2' HG12 ' A' ' 86' ' ' VAL . 88.8 m-20 -83.18 116.93 22.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.98 96.51 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.9 mm? -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 45.99 3.11 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 26' ' ' ILE . 8.7 tp -88.44 130.17 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.243 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.7 t -131.83 131.38 42.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.0 p 39.93 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.508 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -8.52 14.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -63.62 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -88.11 4.26 46.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -59.63 -56.03 39.86 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 21.4 Cg_endo -58.67 -31.18 94.25 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.96 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -65.76 -44.92 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.36 -44.38 97.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.51 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -63.12 -38.9 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.33 -44.49 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.46 -39.17 93.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.27 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -57.52 -39.29 76.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.402 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.7 m -61.68 -33.66 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.587 HD22 ' OE1' ' A' ' 70' ' ' GLN . 67.9 mt -72.16 146.26 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -109.18 111.38 22.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.53 -17.11 2.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.8 m -75.58 132.7 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.57 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -95.26 -48.46 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -156.39 157.6 35.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -158.31 159.69 36.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -143.36 134.41 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.9 t -101.81 116.34 45.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 54' ' ' SER . 64.5 mt -113.33 98.9 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.008 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.635 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.32 -39.67 4.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.451 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.4 Cg_exo -55.18 -31.13 74.55 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.542 2.162 . . . . 0.0 112.208 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 51' ' ' ILE . 85.5 p -111.9 2.07 16.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 49.38 36.55 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.2 m -123.58 133.14 54.0 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.45 133.04 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.187 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.5 tt -125.1 130.6 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.7 132.9 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.638 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 t -105.19 123.43 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.1 p80 -149.62 163.24 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.408 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -85.27 118.43 24.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.02 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.6 p -56.49 -21.14 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.491 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.86 -55.05 5.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.2 -43.78 90.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.6 tt -146.02 141.08 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.24 163.01 19.1 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.09 -36.48 96.34 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.15 -39.3 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.634 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.587 ' OE1' HD22 ' A' ' 42' ' ' LEU . 2.0 tm0? -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.292 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.27 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -64.33 -38.24 90.35 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.81 97.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.609 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.54 -40.39 95.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.34 -24.85 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.567 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -53.26 -31.87 45.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.45 -0.83 54.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 54.83 48.75 19.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.757 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -113.68 8.39 17.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.413 -179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 59.47 114.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.336 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.31 144.67 29.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -151.14 169.44 21.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.355 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 85' ' ' ARG . 11.2 t -94.64 119.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.211 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' VAL . 1.4 tmm_? 40.09 95.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.409 HG12 ' OD2' ' A' ' 22' ' ' ASP . 10.0 p -64.53 142.38 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -57.58 114.19 2.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.27 133.68 1.56 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -97.19 67.53 2.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.1 m -62.06 130.17 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.3 m -154.53 153.69 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -62.83 -41.84 99.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -100.88 139.05 37.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.39 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.15 142.97 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.486 ' O ' ' CG ' ' A' ' 96' ' ' TRP . 74.9 t-105 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.8 tp -109.05 125.44 52.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -102.48 129.71 49.08 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -63.93 -38.19 90.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.11 -40.92 91.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.09 -39.21 93.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.27 -35.09 79.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' LYS . 43.4 tp10 -65.43 -45.43 83.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' GLU . 86.0 tttt 57.81 119.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.51 -36.56 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.431 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 tptt 59.2 104.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.48 134.58 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.423 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -107.11 62.73 0.62 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.79 164.51 30.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.17 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' HD22 ' A' ' 16' ' ' LEU . 4.5 mm? 54.54 175.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.36 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -115.87 110.24 18.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.344 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.26 131.31 37.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.097 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -134.75 150.02 50.51 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -114.63 128.84 56.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.555 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 7.7 m-85 -120.34 118.68 31.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.59 139.57 38.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.221 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 82' ' ' ALA . 2.8 m -122.91 125.88 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.078 0.466 . . . . 0.0 110.255 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -107.7 -19.28 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.462 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.75 17.67 55.67 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.1 tp -76.41 129.25 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.447 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -127.9 136.45 51.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 29' ' ' THR . 13.6 p 37.24 -143.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.686 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 t -130.56 -4.74 4.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.7 t -62.46 -19.24 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 54.6 mp0 -85.05 -7.1 59.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -45.99 -57.6 7.84 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 20.0 Cg_endo -56.56 -42.41 65.61 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.36 2.04 . . . . 0.0 112.435 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.04 -43.36 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.502 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.48 -44.95 99.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.49 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.67 -33.24 75.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 0.0 110.626 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.29 -38.75 92.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.756 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.67 -44.79 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.29 -39.36 93.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.8 -37.96 71.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.385 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 t -61.79 -39.97 93.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -69.34 139.53 54.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.547 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -100.54 110.82 23.01 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.536 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.01 -20.81 2.13 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 45' ' ' VAL . 10.4 m -74.5 129.05 36.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -94.67 -48.0 6.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -155.06 158.29 38.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.653 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -158.69 158.75 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.864 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -144.19 133.42 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.8 t -100.7 115.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.221 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -115.2 101.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.89 0.376 . . . . 0.0 110.021 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.92 -40.45 3.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 179.401 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 52.0 Cg_exo -53.41 -36.1 78.01 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.488 2.125 . . . . 0.0 112.32 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.476 ' H ' HG22 ' A' ' 51' ' ' ILE . 10.6 t -111.21 17.25 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.759 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.0 ptp180 33.83 41.9 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.35 0.406 . . . . 0.0 111.105 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.9 m -126.25 132.42 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.273 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.5 t -120.03 129.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.699 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -123.87 142.84 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -149.48 138.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -106.26 127.48 61.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.434 ' C ' HD12 ' A' ' 16' ' ' LEU . 12.6 p80 -154.94 162.4 41.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.494 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -85.6 118.24 24.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.13 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 t -59.36 -41.9 90.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.55 -49.18 77.7 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.3 tt -66.65 -46.76 74.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.0 110.551 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.12 135.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 155.34 70.67 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.59 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.39 -27.54 71.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.855 2.37 . . . . 0.0 111.79 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -62.96 -37.06 85.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.92 -40.87 96.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.45 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.56 -44.27 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.69 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.55 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.01 -40.1 96.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.43 80.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.04 -39.23 90.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.46 -38.72 90.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -49.48 -33.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -82.7 42.07 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' ALA . 35.9 ptt180 41.68 23.6 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.638 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' ALA . 4.4 tp -88.68 -138.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' H ' ' CG ' ' A' ' 80' ' ' LEU . 40.4 tp10 -174.27 101.25 0.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -141.25 150.36 42.53 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.443 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -154.44 157.94 39.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.552 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.58 146.12 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.398 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -39.51 155.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.59 148.46 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.486 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -64.85 -39.45 93.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.76 60.81 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -57.16 139.46 52.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.799 0.333 . . . . 0.0 110.439 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.4 p -102.84 -3.91 25.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.7 p -70.93 147.03 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -73.76 -25.88 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 tttp 55.95 100.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 95' ' ' LYS . 86.1 m-20 -79.52 137.1 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 94' ' ' ASN . 16.6 mmmt 43.32 -168.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.775 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.408 ' OXT' ' CG ' ' A' ' 96' ' ' TRP . 77.1 t-105 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.468 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 3' ' ' LEU . 9.5 mp 53.48 169.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -90.33 66.57 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 7' ' ' GLU . 97.9 m-20 -99.17 10.9 40.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.345 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 56.17 8.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 5' ' ' ASN . 95.2 mt-10 -74.9 -20.46 59.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -68.97 -17.35 63.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.492 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.4 -47.42 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -102.08 101.98 12.41 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.999 0.428 . . . . 0.0 110.426 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.42 -42.44 92.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.03 134.53 49.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.501 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -83.82 142.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.84 137.18 53.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 16' ' ' LEU . 64.1 mttp -70.39 -145.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.3 mp 54.97 111.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.336 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -111.77 117.75 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.977 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.73 137.82 37.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.205 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -149.77 152.61 35.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.226 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -111.82 128.69 56.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.302 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.78 106.77 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.151 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.94 117.39 24.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.39 131.25 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 110.279 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.1 mt -105.04 -20.55 13.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.46 31.13 2.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.7 tt -84.86 124.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.827 0.346 . . . . 0.0 110.431 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 28' ' ' CYS . 9.4 t -94.66 134.22 37.47 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 27' ' ' CYS . 14.3 p 34.69 -151.66 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.089 0.243 . . . . 0.0 111.251 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 47.6 p -130.43 -0.65 4.47 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.884 0.374 . . . . 0.0 110.462 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.32 -6.26 50.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.14 0.97 42.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 t -41.75 -57.7 3.78 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.3 Cg_endo -57.2 -39.25 91.83 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.978 1.785 . . . . 0.0 112.132 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.283 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.39 -32.8 73.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.378 . . . . 0.0 110.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.43 -39.25 93.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.971 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.61 -46.38 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.496 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.2 mp -65.09 -38.9 92.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.346 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.35 -39.73 76.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 -40.97 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.615 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.92 144.31 56.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.66 149.15 23.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.409 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.03 -21.94 43.38 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.5 m -68.09 131.78 33.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.41 . . . . 0.0 110.281 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -97.36 -50.71 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -156.8 161.09 39.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -158.46 159.69 35.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -143.64 136.63 27.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.261 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.3 t -102.95 111.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.957 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' OG ' ' A' ' 54' ' ' SER . 55.1 mt -99.9 109.53 24.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.35 -43.37 4.32 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.359 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 49.1 Cg_endo -68.37 -16.2 43.19 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.839 1.692 . . . . 0.0 112.894 -177.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.448 ' OG ' ' CG2' ' A' ' 51' ' ' ILE . 24.4 p -117.53 2.25 12.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.857 0.36 . . . . 0.0 110.447 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 42.87 23.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' SER . 58.4 m -110.82 134.68 52.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.139 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -109.68 130.14 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.777 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.4 tt -119.76 131.61 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.377 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.27 134.01 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.384 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -103.64 120.31 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.757 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' HG23 ' A' ' 66' ' ' ILE . 21.4 p80 -149.96 154.2 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.506 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.63 125.94 31.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -58.43 -40.01 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.481 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.44 -52.48 65.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.89 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.17 -43.77 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.747 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.2 tt -149.88 133.23 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.36 161.94 35.75 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.1 -34.84 93.95 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.338 2.025 . . . . 0.0 112.297 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.03 -40.48 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.57 -44.77 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.41 -43.86 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.37 99.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.678 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.2 -39.83 94.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.725 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.83 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.834 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.21 -39.07 93.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -59.83 -38.48 82.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.341 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.95 -33.85 67.44 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.97 33.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.12 18.64 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.34 98.17 7.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.132 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.58 90.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.63 133.14 44.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -131.86 140.17 49.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.0 t -80.88 110.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 39.39 88.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.87 137.24 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.637 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -68.89 124.79 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.37 -17.06 65.22 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 90' ' ' THR . 95.7 mt-10 -60.83 -58.27 9.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.643 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 91' ' ' SER . 86.8 m 53.36 164.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.602 ' N ' HG22 ' A' ' 90' ' ' THR . 64.8 p -151.83 122.75 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.384 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.476 ' CG ' ' N ' ' A' ' 93' ' ' LYS . 89.0 t80 -158.92 161.16 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 92' ' ' PHE . 10.0 mtpm? -136.46 139.92 42.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.372 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -103.6 144.8 30.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -74.5 140.91 44.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.485 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.6 mt -100.0 127.55 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.319 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.61 143.45 57.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.86 106.42 15.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -80.43 -10.54 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.81 -32.65 73.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.438 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.81 -44.63 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.42 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 9' ' ' GLU . 58.7 mp0 -69.6 -35.64 75.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 9' ' ' GLU . 36.8 ttmt 56.39 113.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -67.0 -32.46 73.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.729 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -67.95 131.13 44.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.307 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 15' ' ' LYS . 89.0 t -106.44 118.93 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tptp 40.49 -90.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.688 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 13' ' ' VAL . 28.3 ttpt -150.36 28.72 0.72 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.659 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.7 mm? -81.15 141.55 34.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -112.79 110.12 20.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -78.88 132.14 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -133.53 141.76 47.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.208 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -105.51 128.75 53.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.188 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 26.2 m-85 -109.97 131.64 54.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.213 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.09 112.34 24.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.218 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 23' ' ' VAL . 4.2 p -114.85 122.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.1 mt -105.73 -7.04 18.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.546 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.65 18.98 47.46 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 26' ' ' ILE . 7.9 tp -88.95 129.39 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.517 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.2 p -132.46 159.9 38.01 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 45.4 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.43 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -3.31 5.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.663 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -75.33 -8.96 58.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 56.9 mp0 -87.65 -6.02 58.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.615 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.5 t -51.45 -55.29 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.215 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 19.0 Cg_endo -58.21 -38.67 90.12 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.561 2.174 . . . . 0.0 112.0 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.17 -42.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.266 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.82 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.95 -33.58 75.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -65.39 -38.81 91.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.586 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.05 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.79 -39.12 93.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.75 -40.45 79.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 m -60.55 -34.01 73.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.7 147.03 43.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -100.99 141.63 33.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.08 -17.75 40.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.1 m -69.5 131.15 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.666 0.27 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -102.5 -50.76 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.62 156.86 38.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -160.53 161.08 32.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.808 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -148.67 138.05 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.69 119.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.6 mt -109.21 113.53 44.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 121.236 0.541 . . . . 0.0 109.768 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.672 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.09 -45.81 4.74 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.07 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 42.7 Cg_endo -68.71 -12.18 33.92 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.504 2.136 . . . . 0.0 112.433 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.6 m -121.84 8.62 9.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' SER . 34.2 ptt180 32.04 35.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' SER . 91.4 m -122.48 132.88 54.55 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.56 133.66 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.216 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -126.76 141.03 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.356 0.598 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -149.58 136.62 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.58 128.56 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -152.77 162.16 41.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.08 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -57.9 -36.96 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.13 -51.1 61.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.751 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.2 tt -64.94 -46.62 80.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 110.416 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -143.42 140.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.08 160.8 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.559 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.78 -25.35 60.88 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.701 2.267 . . . . 0.0 111.953 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.68 -38.63 88.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -64.62 -41.44 96.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.76 -44.0 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.74 -42.12 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.65 -39.25 93.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.0 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.9 -40.32 91.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 61.1 m-80 -61.62 -38.91 89.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.496 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -51.61 -40.87 60.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.23 33.3 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 54.9 16.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.18 93.14 4.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.455 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -62.98 125.66 24.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.73 141.84 23.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.19 146.83 51.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.17 146.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -38.88 138.1 0.58 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.2 m -106.89 129.01 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.979 0.418 . . . . 0.0 110.358 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -90.37 8.09 35.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.05 155.1 31.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -170.51 129.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.322 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' SER . 97.9 m -61.65 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' THR . 2.0 t 42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.67 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -156.32 -30.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -68.93 128.94 38.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -151.92 147.93 27.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -77.24 132.66 38.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.534 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.621 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.32 128.61 34.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 43.52 64.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.602 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.485 ' CG ' ' H ' ' A' ' 6' ' ' LYS . 15.5 p30 -89.49 -106.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' H ' ' CG ' ' A' ' 5' ' ' ASN . 29.7 ttmt 70.2 -42.71 0.52 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 5' ' ' ASN . 98.5 mt-10 -68.07 -34.52 76.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.505 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.86 -20.11 47.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.438 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -55.44 -14.15 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -61.98 -30.05 70.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.14 -42.41 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -67.18 133.34 49.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.269 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p -139.7 135.55 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.151 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -66.52 -44.67 81.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 16' ' ' LEU . 9.5 ptpp? -81.69 175.67 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.454 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD12 HG12 ' A' ' 60' ' ' VAL . 4.4 mm? 58.2 142.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -118.3 113.71 21.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.011 0.434 . . . . 0.0 110.457 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.67 140.67 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.766 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -140.27 144.8 36.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.221 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.06 126.81 47.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.242 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.87 122.13 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.693 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -90.8 111.18 22.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 t -99.77 88.9 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 ' N ' HD22 ' A' ' 24' ' ' LEU . 4.0 mm? -65.61 -40.96 93.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.542 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.72 33.35 0.6 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.3 tt -89.56 128.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.228 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.522 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.1 t -120.1 129.01 53.99 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.126 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 41.04 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 29' ' ' THR . 85.1 m -104.69 -12.47 16.35 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.365 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -67.18 -11.83 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.762 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -89.98 8.01 34.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.215 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.565 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.5 t -60.99 -41.59 82.37 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 34.3 Cg_exo -59.68 -38.79 79.14 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.593 2.196 . . . . 0.0 112.028 -179.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -65.17 -44.99 95.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.367 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.34 -43.97 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.445 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.84 -31.73 72.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.01 -40.64 96.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.768 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.44 -46.16 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.88 -40.15 96.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.196 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.16 -39.94 80.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.277 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.9 m -61.24 -36.16 79.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.21 141.96 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.65 107.54 18.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.03 -13.6 1.69 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 45' ' ' VAL . 12.4 m -77.99 128.13 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.81 -47.03 6.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -156.88 156.63 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -156.91 159.62 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -143.34 136.9 28.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.11 116.62 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 ' H ' ' A' ' 54' ' ' SER . 40.0 mt -107.14 100.14 10.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.522 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 m -76.0 -36.33 1.89 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.852 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 60.4 Cg_endo -72.8 -13.5 26.78 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.11 1.206 . . . . 0.0 112.771 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.417 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.4 m -121.0 0.39 10.22 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 49.02 39.37 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -130.21 141.17 50.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.26 131.72 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -120.89 130.28 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.347 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.17 134.33 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG12 HD12 ' A' ' 16' ' ' LEU . 3.5 t -105.88 126.52 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.565 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.8 p80 -154.22 152.79 30.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.516 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.01 119.91 14.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.191 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -43.03 97.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.512 ' N ' HD22 ' A' ' 64' ' ' LEU . 4.0 mm? -62.89 -47.18 84.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.967 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.9 tt -67.3 -46.41 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.224 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' ND1' ' A' ' 61' ' ' HIS . 17.1 tt -144.56 139.53 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 161.28 33.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.02 -24.55 52.52 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.62 2.213 . . . . 0.0 111.688 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.81 -37.49 86.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.92 -38.58 86.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -44.49 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -65.85 -40.04 91.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.63 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -63.67 -41.1 98.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.497 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.6 97.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.409 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.79 -38.7 89.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.745 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 63.7 m-20 -60.6 -39.73 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.416 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.27 -28.76 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.29 42.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 71.25 29.02 2.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' GLU . 9.4 mp -99.63 0.43 42.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.317 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 80' ' ' LEU . 44.7 tp10 44.65 97.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.361 . . . . 0.0 110.457 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.39 148.69 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.582 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -152.89 167.29 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -86.78 148.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -43.23 141.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 86' ' ' VAL . 34.4 m -81.26 128.71 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.494 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -110.8 -61.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.93 39.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' THR . 97.4 mt-10 -66.93 -39.7 87.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.343 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' GLU . 7.6 m 48.32 99.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 m -69.57 147.79 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -104.89 145.16 30.79 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -87.06 139.53 30.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -86.08 165.41 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 57.23 54.99 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 88.1 t90 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.57 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -83.72 138.33 33.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.142 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -134.09 149.87 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.89 133.77 51.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.1 m-85 -119.79 135.71 54.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.105 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -98.48 108.09 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.114 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.49 93.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.9 mm? -72.52 -36.63 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.43 22.24 1.36 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.662 HD13 ' N ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -89.71 123.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.662 ' N ' HD13 ' A' ' 26' ' ' ILE . 23.3 p -134.32 159.7 40.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.179 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 44.92 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -121.23 -4.65 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -73.67 -15.42 61.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.624 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -85.26 -4.89 59.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -48.85 -56.76 13.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.7 Cg_endo -54.2 -41.62 74.37 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.334 2.023 . . . . 0.0 112.122 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.55 97.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.406 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.0 -44.3 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.07 -32.48 73.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.35 -39.15 92.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.536 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.66 -45.17 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.292 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.1 mp -64.81 -38.77 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.09 -39.59 82.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.327 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.9 p -61.04 -33.03 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.495 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.83 146.05 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 62.1 t0 -102.81 144.14 31.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.525 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 103.15 -19.43 46.2 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 45' ' ' VAL . 13.9 m -66.88 133.18 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.539 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -96.42 -54.61 3.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -155.8 159.69 39.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.488 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.83 161.58 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 t -148.47 140.7 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.372 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.63 117.72 47.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.82 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 110.004 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.679 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -74.47 -35.34 2.16 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.804 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.7 Cg_exo -54.6 -35.86 87.59 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.101 1.867 . . . . 0.0 112.019 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -111.25 1.88 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.769 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 54.74 52.7 11.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -140.63 145.46 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -127.25 130.17 70.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.591 ' C ' HD12 ' A' ' 58' ' ' ILE . 1.1 pp -122.5 137.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -147.36 138.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -110.39 126.08 67.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.543 ' HD1' HG23 ' A' ' 66' ' ' ILE . 14.4 p80 -151.9 163.18 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.04 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -86.94 120.14 27.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -57.18 -35.92 70.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.548 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 64' ' ' LEU . 10.4 mp -63.56 -48.09 78.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.74 -44.52 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.543 HG23 ' HD1' ' A' ' 61' ' ' HIS . 18.4 tt -150.15 135.61 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.15 162.84 29.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.21 -32.59 93.99 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.511 2.141 . . . . 0.0 112.036 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.54 -39.73 80.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.693 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.31 -43.4 98.91 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.404 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.74 -44.38 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.38 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.16 93.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -63.5 -39.37 94.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.16 95.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.29 -36.76 83.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.655 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -60.94 -37.46 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -53.16 -44.59 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.729 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -145.85 141.89 28.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.303 179.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.911 0.386 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.95 131.81 35.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.813 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -139.19 148.6 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.216 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -109.26 128.31 54.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.074 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.7 m-85 -112.34 105.0 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 99.5 m-20 -72.2 138.67 47.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.274 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.9 m -128.29 129.48 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.406 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -108.82 -18.96 13.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.428 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.91 36.71 3.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 26' ' ' ILE . 16.9 tt -86.05 122.99 39.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.357 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.7 t -100.63 130.09 46.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.5 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.5 p 39.77 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.63 -1.53 9.0 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.161 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 99.5 p -76.23 -7.59 55.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.464 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.88 5.47 36.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -53.62 -57.0 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.0 Cg_endo -57.4 -32.35 93.74 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.173 1.916 . . . . 0.0 112.233 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.17 -42.8 88.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.392 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.83 -44.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.333 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 110.608 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.76 -38.22 89.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' A' ' 41' ' ' SER . 95.6 mt -62.99 -44.19 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.52 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.07 -36.25 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.988 0.423 . . . . 0.0 110.38 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.41 -39.05 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.355 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 82.6 p -64.9 -33.6 76.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.63 141.1 48.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -104.52 108.47 19.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.97 -13.68 1.92 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 45' ' ' VAL . 10.5 m -80.04 127.12 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 110.647 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -93.19 -47.98 6.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.546 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.71 156.14 34.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -157.33 163.17 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.718 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -149.7 144.71 26.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.283 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.96 122.84 61.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.052 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 54' ' ' SER . 60.1 mt -118.83 99.67 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.628 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.18 -40.34 3.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.697 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 48.7 Cg_exo -54.45 -38.83 89.68 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.599 2.199 . . . . 0.0 112.286 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' ILE . 61.2 m -100.7 -4.45 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.61 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 53.75 46.4 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.1 m -133.85 148.98 51.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.7 t -120.4 133.29 67.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.942 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.1 tt -125.43 130.04 72.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.345 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -145.95 132.38 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.01 124.99 58.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.417 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.8 p80 -149.88 163.74 37.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -81.81 116.74 21.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.868 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -57.61 -39.82 77.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.54 -52.24 61.98 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.016 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.3 tt -65.23 -45.61 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG23 ' ND1' ' A' ' 61' ' ' HIS . 16.6 tt -144.08 136.52 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.32 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.81 163.06 21.04 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.8 -33.47 81.19 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.576 2.184 . . . . 0.0 111.991 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -56.19 -43.45 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.721 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -61.87 -42.85 99.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.7 -44.22 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.79 -40.39 95.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.467 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.24 98.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.571 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.66 -35.08 79.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.594 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.16 -37.2 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.619 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -53.94 -38.31 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -148.77 152.9 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.424 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 54.3 mtmt -78.42 138.74 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -143.37 142.13 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.301 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -108.79 127.25 53.85 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.359 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -112.46 123.12 49.59 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.06 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -94.08 111.18 22.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.83 128.02 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.45 -22.66 16.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 33.72 2.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 26' ' ' ILE . 9.5 tp -89.49 130.33 38.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 t -129.72 131.15 46.22 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 40.56 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.812 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -1.88 15.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.296 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -73.12 -12.41 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -92.21 7.26 43.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.2 179.429 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.604 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 48.3 t -64.63 -39.94 44.76 Favored Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 39.0 Cg_exo -60.63 -43.25 33.66 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.636 2.224 . . . . 0.0 111.973 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.26 -43.67 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.707 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.52 -45.01 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.427 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.39 -33.69 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 0.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.99 -37.89 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.99 -44.48 99.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.45 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.17 -38.43 91.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.809 0.337 . . . . 0.0 110.351 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -57.46 -40.61 78.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.7 p -60.83 -34.05 73.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.21 145.41 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -105.57 110.69 23.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.74 -17.68 2.4 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.1 m -74.22 130.17 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.445 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -97.1 -47.19 5.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.33 158.74 36.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.71 160.39 36.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -144.62 131.6 20.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.131 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.51 115.76 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 54' ' ' SER . 63.6 mt -113.98 99.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.011 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.74 -39.76 3.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 50.4 Cg_exo -54.63 -35.91 88.05 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.437 2.092 . . . . 0.0 112.256 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.493 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.8 m -103.57 -3.28 25.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.62 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 53.56 41.17 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.916 0.388 . . . . 0.0 110.693 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.7 m -129.57 140.99 51.06 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -117.33 130.59 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.7 130.32 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.82 133.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.381 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.2 t -105.04 127.68 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.77 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.469 ' ND1' HG23 ' A' ' 66' ' ' ILE . 24.8 p80 -153.87 163.01 40.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.45 118.95 22.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.017 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -58.62 -43.32 89.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.1 tt -61.91 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.592 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 65' ' ' LEU . 1.6 tt -63.34 -46.09 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.088 0.471 . . . . 0.0 110.647 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.469 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.5 tt -144.41 139.13 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.179 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 162.61 20.42 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.798 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.45 -33.15 84.98 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.365 2.044 . . . . 0.0 112.235 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.55 -38.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.775 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -42.42 93.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.42 -44.13 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.51 96.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -39.39 94.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.423 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.85 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.83 -34.62 78.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -61.28 -35.79 78.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.98 -38.69 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.395 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.69 169.25 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.5 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 . . . . . 0 C--O 1.232 0.161 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.81 136.74 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.171 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -137.08 152.93 50.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.05 124.68 49.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.015 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -112.16 120.39 41.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -89.63 114.34 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.386 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.5 m -109.08 126.75 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.068 0.461 . . . . 0.0 110.239 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -107.11 -32.14 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.597 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.24 37.87 1.79 Allowed Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' ILE . 9.7 tp -83.61 127.19 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.196 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' CYS . 8.2 t -113.41 132.08 55.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.193 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 27' ' ' CYS . 13.4 p 36.59 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 111.024 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 48.4 p -126.08 0.56 7.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -76.07 -6.42 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.57 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -84.99 1.59 46.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.253 -179.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.499 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.8 t -43.96 -57.26 6.29 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 27.5 Cg_endo -58.59 -37.29 95.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.162 1.908 . . . . 0.0 111.812 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.29 -44.52 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.414 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -33.13 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.605 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 78' ' ' ALA . 5.5 mm -62.78 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.484 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.7 mp -65.61 -38.44 89.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.37 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.97 -39.0 77.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.281 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -62.07 -38.29 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.34 144.34 51.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 51.0 p-10 -100.97 145.94 28.03 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.285 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.19 -21.38 37.79 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.7 m -70.39 131.24 34.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.94 0.4 . . . . 0.0 110.513 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -97.07 -49.84 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -157.22 163.28 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -157.17 162.8 39.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -144.37 137.22 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -111.61 120.55 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.021 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 54' ' ' SER . 63.9 mt -109.97 113.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.939 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.632 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 19.3 t -73.89 -45.7 6.8 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.801 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 39.4 Cg_endo -65.48 -15.21 48.68 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.12 1.88 . . . . 0.0 112.645 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.2 t -114.75 -1.99 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 43.88 27.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.821 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.5 m -119.98 133.51 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.063 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -109.14 127.79 65.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.38 129.94 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.19 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.98 132.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.69 122.81 56.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' ND1' HG23 ' A' ' 66' ' ' ILE . 13.3 p80 -151.72 162.52 40.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -85.65 114.27 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.88 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.7 p -51.88 -31.77 29.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.133 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.33 -53.62 34.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.82 -43.61 88.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.0 tt -147.8 135.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.93 161.57 43.72 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 -25.35 48.21 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.635 2.223 . . . . 0.0 111.703 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -63.63 -37.26 86.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.36 -41.48 89.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.36 -44.31 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.435 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.493 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -64.63 -37.35 87.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.11 94.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.76 -38.8 92.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.507 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 67.2 m-80 -61.63 -39.04 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.553 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.46 -41.13 84.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 38' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.537 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.912 0.387 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 16.3 p30 -145.63 138.85 26.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.512 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.467 179.819 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 120.912 0.387 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -85.08 136.91 33.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -134.2 152.84 52.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.079 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.7 141.85 44.78 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.135 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' ' 84' ' ' VAL . 40.1 m-85 -131.6 151.88 51.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.057 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -128.29 113.21 15.35 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.208 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -103.34 103.25 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.21 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 26' ' ' ILE . 55.3 tp -64.97 -40.73 95.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.301 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.21 40.42 0.34 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.0 tp -89.2 130.74 38.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 110.252 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 7.9 t -128.9 130.83 47.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.794 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.4 p 39.36 -160.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.959 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 32' ' ' VAL . 72.0 p -113.94 -1.3 13.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.216 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 61.9 p -76.72 -9.0 58.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.698 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.87 6.87 44.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.08 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.594 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 54.9 t -63.55 -40.55 59.04 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.551 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 38.5 Cg_exo -60.46 -42.93 36.96 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.612 2.208 . . . . 0.0 111.741 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.44 -43.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -45.0 99.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.74 -35.75 75.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.895 0.379 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.32 -37.96 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.672 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mm -62.22 -44.65 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 48' ' ' TYR . 9.8 mp -63.43 -39.59 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.533 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -58.35 -38.91 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.44 -40.13 93.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.558 HD22 ' NE2' ' A' ' 70' ' ' GLN . 67.9 mt -70.11 147.67 49.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -108.82 105.7 15.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.61 -18.37 1.0 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 45' ' ' VAL . 8.5 m -79.74 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.56 -47.7 6.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.44 159.09 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CD2' HD23 ' A' ' 39' ' ' LEU . 8.6 p90 -162.92 163.16 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t -152.59 140.45 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.376 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.55 116.03 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 54' ' ' SER . 62.6 mt -105.81 101.39 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.624 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -75.69 -40.42 3.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.5 Cg_exo -54.22 -35.36 82.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.536 2.157 . . . . 0.0 112.314 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.466 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.8 t -108.71 4.8 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 46.88 39.1 6.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.682 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 57' ' ' VAL . 25.8 m -126.45 156.58 40.42 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.1 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' N ' HG22 ' A' ' 56' ' ' THR . 61.3 t -125.59 135.18 64.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' ILE . 13.1 tt -122.39 130.12 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.291 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.47 135.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -104.62 128.52 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.682 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.456 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.4 p80 -156.72 161.48 39.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -82.59 119.39 24.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -59.06 -42.39 90.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.602 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.5 tt -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.438 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.9 tt -63.66 -46.54 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.743 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD11 HE21 ' A' ' 70' ' ' GLN . 19.5 tt -142.2 135.44 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.027 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -86.13 153.46 56.93 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.201 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.38 -35.68 85.09 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.376 2.05 . . . . 0.0 112.214 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -58.73 -37.7 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.558 ' NE2' HD22 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.32 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.52 -44.34 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.43 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.3 92.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.774 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.72 97.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.664 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.6 mt -65.28 -38.98 91.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.719 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.22 -27.31 67.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -49.5 -32.14 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.49 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -141.68 131.12 23.76 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.444 HG22 ' CE2' ' A' ' 21' ' ' PHE . 7.9 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.431 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.938 0.399 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 58.8 mttp -81.73 140.26 34.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.114 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.412 ' OG ' ' CE1' ' A' ' 21' ' ' PHE . 3.1 t -141.39 147.34 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.74 135.05 49.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' CE1' ' OG ' ' A' ' 19' ' ' SER . 64.3 m-85 -125.23 130.86 52.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -98.76 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.209 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.44 114.76 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.6 mt -102.22 -9.23 20.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.34 35.3 5.11 Favored Glycine 0 N--CA 1.464 0.539 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -89.85 134.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -131.87 145.44 51.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.408 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 6.9 p 43.67 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.212 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 29' ' ' THR . 60.3 m -129.11 -6.05 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.24 -9.57 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 16.4 pt-20 -90.12 9.48 28.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.591 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 6.6 t -57.21 -42.89 98.47 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.169 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.5 Cg_exo -59.34 -34.88 97.73 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.687 2.258 . . . . 0.0 111.678 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.78 -43.16 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.467 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.88 -47.78 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.467 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -32.1 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -62.98 -39.1 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.62 -44.75 99.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.57 -40.14 96.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.275 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -56.34 -40.31 74.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.71 -40.46 95.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.548 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.0 149.15 51.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -105.11 146.61 28.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 -22.81 34.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.0 m -70.86 131.0 34.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.469 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -95.67 -49.68 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.06 164.4 35.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -157.28 161.6 39.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -146.34 118.71 8.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.6 t -89.36 121.91 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 54' ' ' SER . 60.5 mt -109.48 102.2 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.73 -40.77 4.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.46 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -54.05 -34.51 77.89 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.54 2.16 . . . . 0.0 112.13 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.3 t -108.74 2.35 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.502 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 52.16 21.47 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -106.12 139.12 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.65 130.39 67.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.32 129.86 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.51 133.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.462 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.0 t -104.05 123.44 57.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.999 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.45 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.8 p80 -153.27 166.07 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.632 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -90.13 120.63 31.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.093 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -56.72 -37.82 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.735 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 64' ' ' LEU . 4.0 mm? -61.58 -50.92 70.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.922 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.78 -45.02 72.41 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.45 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.2 tt -148.6 133.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.608 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.02 162.37 30.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.79 -34.96 92.74 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.577 2.185 . . . . 0.0 112.349 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -56.59 -39.74 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.7 -43.28 97.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.523 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.47 -44.06 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.7 95.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -63.49 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.05 96.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.24 -39.06 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -61.23 -38.9 88.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.521 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.05 -37.75 64.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.627 179.788 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.732 0.301 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -151.74 148.3 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.951 0.405 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -78.53 136.31 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.023 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 t -141.21 144.45 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.227 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -106.27 136.44 45.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.098 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 27.3 m-85 -122.99 135.83 54.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -108.6 107.42 17.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -98.42 96.62 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 26' ' ' ILE . 56.2 tp -64.05 -41.66 97.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.33 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.47 36.95 0.34 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.509 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.5 tt -89.64 131.61 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.278 . . . . 0.0 110.445 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.9 t -116.59 128.84 55.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 40.13 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.665 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 29' ' ' THR . 55.5 m -111.68 -3.74 14.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.7 p -76.18 -7.34 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.65 8.67 33.16 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.402 0.439 . . . . 0.0 110.176 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 15.7 t -62.49 -41.71 75.17 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.3 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 36.4 Cg_exo -59.08 -44.63 33.17 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.685 2.257 . . . . 0.0 111.836 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.49 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.68 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.46 -44.75 99.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.21 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.54 -33.82 75.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.33 -39.16 89.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.752 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.3 mp -63.1 -38.98 93.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.414 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.82 -40.98 85.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -62.65 -32.71 73.81 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.543 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -73.6 146.0 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -103.54 142.85 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.204 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 -16.67 45.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 45' ' ' VAL . 17.1 m -73.84 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.361 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -98.2 -53.49 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -153.15 159.26 42.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.762 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.456 ' CD2' HD23 ' A' ' 39' ' ' LEU . 8.9 p90 -160.89 162.53 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 t -150.58 136.89 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.4 115.56 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.019 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.467 HG22 ' H ' ' A' ' 54' ' ' SER . 68.0 mt -109.15 100.11 10.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.631 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.34 -39.59 3.18 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.767 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -53.6 -36.25 80.2 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.478 2.119 . . . . 0.0 112.345 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.467 ' H ' HG22 ' A' ' 51' ' ' ILE . 46.5 t -106.52 -0.75 23.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 53.38 43.46 31.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.7 m -134.03 147.39 50.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.7 t -120.22 130.52 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.8 tt -116.04 129.7 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.118 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.27 138.22 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.44 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.41 125.84 68.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.468 ' ND1' HG23 ' A' ' 66' ' ' ILE . 24.6 p80 -153.41 163.52 39.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.608 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -86.06 115.47 23.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -53.9 -20.49 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.612 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.66 -43.31 94.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.468 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.4 tt -145.48 139.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.12 162.19 22.93 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.46 -35.24 96.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.459 2.106 . . . . 0.0 112.273 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.87 -41.24 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.32 -42.39 96.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.37 -44.55 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.38 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.31 -38.3 90.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.08 -40.14 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -60.51 -27.07 67.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.637 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.36 -38.2 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.529 179.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -132.4 134.38 45.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.096 0.474 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -90.82 139.16 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.262 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.6 m -137.26 149.37 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.075 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -105.51 124.58 49.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.5 m-85 -107.07 118.0 35.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.1 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 59.8 t0 -85.87 104.92 15.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.21 113.67 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.533 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.8 mm? -93.45 -10.06 36.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.08 31.79 7.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 26' ' ' ILE . 15.9 tt -87.08 128.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.0 t -113.13 130.85 56.05 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.498 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.9 p 39.72 -158.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.588 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -6.29 11.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.248 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.0 p -69.63 -12.62 61.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.75 -4.16 59.09 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -49.28 -56.71 14.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -54.37 -39.73 86.0 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.124 1.883 . . . . 0.0 112.268 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.8 -43.3 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.464 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.48 -44.49 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.277 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.92 -33.87 76.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.937 0.398 . . . . 0.0 110.701 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.2 t-20 -62.29 -39.25 92.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.99 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.594 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.408 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.2 mp -64.32 -37.76 88.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 0.0 110.14 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.68 -41.14 81.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.505 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.8 p -63.17 -33.91 76.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.34 148.31 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 50.8 p30 -104.86 150.3 24.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.32 -21.24 47.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 45' ' ' VAL . 15.6 m -69.05 133.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.39 . . . . 0.0 110.333 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -95.0 -54.06 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -157.65 162.81 38.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.3 p90 -158.35 162.49 37.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -146.71 134.53 21.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 t -100.0 116.5 43.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 54' ' ' SER . 66.1 mt -111.72 99.54 8.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.643 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -74.63 -39.41 3.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.576 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 42.8 Cg_exo -56.26 -28.81 73.38 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.444 2.096 . . . . 0.0 112.296 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.42 ' H ' HG22 ' A' ' 51' ' ' ILE . 56.6 p -118.16 16.51 14.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.701 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.4 ptm180 34.4 41.63 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.313 0.383 . . . . 0.0 111.001 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -125.44 136.44 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.25 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.2 t -114.87 131.8 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' ILE . 12.9 tt -125.83 131.54 71.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.192 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.66 135.23 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.529 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.53 128.18 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.611 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.497 ' HD1' HG23 ' A' ' 66' ' ' ILE . 14.8 p80 -158.24 161.67 37.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -88.68 118.1 28.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.087 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -53.34 -37.24 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.36 -53.02 61.98 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.89 -43.92 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.621 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' HD1' ' A' ' 61' ' ' HIS . 19.7 tt -150.26 131.4 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 163.01 36.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.53 -34.05 94.2 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.469 2.113 . . . . 0.0 112.038 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -57.16 -42.66 81.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.72 -43.33 90.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.304 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -44.22 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.09 -45.27 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -62.04 -40.46 95.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.636 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.63 87.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.88 -37.26 85.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 49.1 m-80 -59.83 -38.74 82.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.341 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.41 -33.48 54.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.0 110.611 179.871 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -158.55 136.01 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.412 179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.857 0.36 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 99.96 11.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.801 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -92.26 151.23 20.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.141 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.14 132.5 50.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.018 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 24.2 m-85 -119.52 129.61 54.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.995 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -99.49 114.34 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -100.08 111.01 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.199 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.2 mt -94.89 -6.88 41.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.94 28.27 13.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' ILE . 16.6 tt -85.13 130.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 2.8 t -116.07 130.57 56.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 41.91 -168.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.814 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 p -102.39 -9.61 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.193 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -65.85 -17.3 64.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.47 -2.21 58.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -53.24 -56.68 21.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 28.0 Cg_endo -59.18 -31.9 96.15 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.076 1.851 . . . . 0.0 112.224 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.3 -43.53 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.32 -43.65 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.22 -32.84 73.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -61.15 -39.88 91.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.494 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 34.7 mm -62.83 -45.65 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.546 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.8 mp -63.32 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.63 -41.07 80.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 87.8 p -64.09 -33.26 75.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.94 146.31 41.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.643 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 53.1 t0 -101.68 151.3 22.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.258 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 99.52 -24.42 32.28 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.8 m -68.14 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.443 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -99.77 -55.29 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.16 161.72 42.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -158.69 159.73 35.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -143.21 133.99 25.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -100.25 113.72 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 54' ' ' SER . 66.3 mt -108.5 100.21 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.633 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -39.77 3.41 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.3 Cg_exo -54.63 -34.54 83.67 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.543 2.162 . . . . 0.0 112.185 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.1 t -108.1 2.28 22.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 48.61 38.21 10.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -125.77 131.98 52.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.361 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.59 129.07 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.137 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.4 tt -120.79 132.19 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.381 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -142.72 134.26 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 t -103.87 124.51 58.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.618 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.487 ' ND1' HG23 ' A' ' 66' ' ' ILE . 13.9 p80 -155.13 156.54 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -80.66 119.33 23.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.226 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -57.02 -30.03 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.7 -53.23 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.784 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.1 -43.99 85.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.014 0.435 . . . . 0.0 110.815 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.487 HG23 ' ND1' ' A' ' 61' ' ' HIS . 18.3 tt -148.25 135.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.146 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 162.12 28.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.774 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.38 -33.76 86.64 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.499 2.132 . . . . 0.0 112.292 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.84 -42.3 79.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.708 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.68 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.618 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.53 -38.85 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' ' 38' ' ' ILE . . . -58.74 -45.21 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.52 -39.25 93.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.45 -39.47 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.35 -39.05 89.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.63 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.796 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.756 0.313 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -150.18 168.93 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.333 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.538 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 . . . . . 0 C--O 1.231 0.088 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -97.17 115.36 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.198 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -110.57 151.14 27.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -101.99 123.73 46.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.135 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 38.6 m-85 -107.2 125.72 51.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -86.76 109.35 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.58 111.32 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 24' ' ' LEU . 9.5 mp -94.26 -22.75 18.19 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.13 21.72 7.86 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' ILE . 17.5 tt -87.19 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.377 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -120.58 135.4 55.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.794 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 29' ' ' THR . 14.3 p 38.99 -139.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.604 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -133.32 -4.48 3.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 110.733 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.1 p -64.17 -19.15 65.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.65 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 55.1 mp0 -87.6 4.26 44.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -50.52 -56.63 17.33 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.679 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.6 Cg_endo -58.53 -32.43 96.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.193 1.929 . . . . 0.0 112.033 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mm -68.08 -43.16 85.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.406 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.98 -44.18 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.459 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -61.68 -39.01 89.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.0 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.9 mp -64.67 -38.72 91.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.746 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -57.83 -34.81 70.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -58.01 -24.36 57.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.403 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.1 mt -80.73 -164.95 0.79 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 22.5 p-10 -143.95 -53.88 0.35 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.39 -16.34 2.26 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 45' ' ' VAL . 20.9 m -74.53 131.56 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -100.15 -52.32 3.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 160.42 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 39' ' ' LEU . 6.8 p90 -159.76 162.02 34.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 t -144.98 137.41 26.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.433 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -97.03 116.46 39.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.151 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' SER . 65.2 mt -111.28 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.383 0.611 . . . . 0.0 110.147 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.678 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.17 -34.94 1.77 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.059 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.3 Cg_exo -55.33 -37.26 94.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.124 1.883 . . . . 0.0 112.098 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.41 ' H ' HG22 ' A' ' 51' ' ' ILE . 84.9 p -110.67 2.11 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.597 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 55.56 52.82 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.7 m -136.99 152.77 50.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.9 133.59 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' ILE . 11.9 tt -127.4 131.48 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.359 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.89 134.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.456 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.03 125.27 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.426 ' ND1' HG23 ' A' ' 66' ' ' ILE . 22.1 p80 -150.37 161.09 43.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -88.22 119.59 28.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.108 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -53.8 -23.78 13.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.25 -54.97 6.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.8 tt -146.1 149.1 16.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.425 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.69 162.3 20.13 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.22 -33.41 95.93 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.524 2.149 . . . . 0.0 112.125 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.44 -40.42 91.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.2 -40.71 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.21 -44.29 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.48 91.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.582 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -63.27 -40.64 97.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.73 91.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.377 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.63 -37.73 87.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.52 -38.44 87.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.575 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.0 -37.94 75.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.518 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.706 0.288 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.44 127.4 29.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.35 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.816 179.227 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 . . . . . 0 C--O 1.232 0.148 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.1 138.6 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -133.42 151.53 51.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -105.17 134.52 48.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.1 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 43.6 m-85 -120.97 132.66 55.06 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.044 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.8 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.09 88.18 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -66.38 -41.39 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.204 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 31.63 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.536 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.6 tp -89.35 130.05 39.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.248 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -132.6 141.29 48.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.914 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 7.6 p 43.78 -169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.59 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 p -122.11 -8.61 8.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.382 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.0 t -66.11 -20.91 66.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 12.7 pt-20 -91.04 9.66 29.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.39 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t -60.49 -42.4 88.38 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 31.3 Cg_exo -58.9 -33.91 98.85 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.652 2.235 . . . . 0.0 111.56 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.08 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.427 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.91 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.586 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -63.78 -34.48 78.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.19 -40.24 96.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.12 -44.43 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.52 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.418 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.93 -38.71 83.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.298 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.8 m -61.48 -36.18 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.694 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.76 148.13 46.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 55.3 p-10 -104.67 148.67 26.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.257 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.35 -21.9 41.12 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' VAL . 15.9 m -72.11 130.37 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 0.0 110.402 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -93.64 -51.4 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.35 161.28 41.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -162.5 162.14 27.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -149.97 142.25 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.09 118.41 45.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 54' ' ' SER . 66.3 mt -109.67 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.23 0.538 . . . . 0.0 110.104 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.674 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.47 -34.39 1.58 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.953 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 43.0 Cg_exo -55.29 -37.86 94.18 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.086 1.857 . . . . 0.0 112.354 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 51' ' ' ILE . 85.7 p -111.78 3.54 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.564 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.46 52.78 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.678 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 57' ' ' VAL . 73.1 m -135.43 155.63 50.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.296 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' N ' HG22 ' A' ' 56' ' ' THR . 62.6 t -128.0 133.23 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ILE . 13.9 tt -125.7 129.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.269 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.12 136.99 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.35 125.39 63.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.485 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.2 p80 -156.08 159.93 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.487 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -86.34 117.54 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 t -54.5 -22.89 14.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.64 -55.17 6.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.555 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.04 -42.93 93.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.485 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.5 tt -148.38 133.81 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.02 162.22 31.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.09 -34.34 92.48 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.626 2.217 . . . . 0.0 112.183 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -56.79 -40.25 75.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -64.09 -42.89 96.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.03 -44.76 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -67.44 -39.81 85.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.425 ' HA ' HD22 ' A' ' 76' ' ' ASN . 38.0 ttmt -64.27 -38.56 91.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.03 92.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.03 -39.14 89.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 69.6 m-80 -61.45 -34.76 75.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -48.68 -38.05 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.613 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.398 179.601 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.678 0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -151.62 140.57 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.246 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 0.0 110.235 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.892 0.377 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -81.86 137.22 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -137.72 142.68 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.39 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.99 135.47 44.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.283 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 m-85 -120.83 131.48 54.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.43 . . . . 0.0 110.212 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -90.33 117.12 28.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 82' ' ' ALA . 2.9 m -111.78 127.17 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.214 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -114.61 -28.42 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.685 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.33 12.69 9.23 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' ILE . 16.4 tt -89.46 131.19 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 30.0 p -132.09 137.81 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.441 ' SG ' ' C ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 58.65 165.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.427 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 t -98.47 0.6 45.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.9 t -74.95 -12.47 60.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 56.0 mp0 -91.68 9.23 33.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.686 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.63 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 41.5 t -62.03 -41.37 75.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.0 Cg_exo -61.16 -42.68 34.04 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.847 2.365 . . . . 0.0 111.817 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.34 -43.31 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.255 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.0 -44.77 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.256 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.14 -33.19 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -63.99 -37.38 87.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.25 -45.25 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 39' ' ' LEU . 10.5 mp -63.88 -38.86 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.507 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -57.79 -37.97 74.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.223 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -61.82 -39.61 92.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.404 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.15 144.93 53.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 43.1 p-10 -104.84 112.56 25.72 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -20.76 2.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 45' ' ' VAL . 12.4 m -72.07 131.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.551 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.98 -47.92 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.49 159.7 41.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.401 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.3 p90 -162.4 161.25 27.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 t -147.96 134.31 19.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.45 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 t -100.16 116.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.458 HG22 ' H ' ' A' ' 54' ' ' SER . 55.1 mt -115.21 100.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 109.986 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.65 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.94 -39.56 3.42 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 178.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.1 Cg_exo -55.2 -33.13 83.32 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.739 2.293 . . . . 0.0 111.808 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.458 ' H ' HG22 ' A' ' 51' ' ' ILE . 10.1 t -108.82 1.09 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.394 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 49.39 39.29 16.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.2 m -125.48 139.78 53.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.75 131.12 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.6 tt -124.42 130.44 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.594 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.07 134.54 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.561 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.46 128.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.314 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.3 p80 -155.79 158.63 38.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.75 116.18 18.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.415 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -58.05 -41.91 84.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.47 -48.79 78.07 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.987 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.1 tt -67.38 -46.87 72.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 110.486 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG23 ' ND1' ' A' ' 61' ' ' HIS . 18.2 tt -142.08 136.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.399 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.14 159.8 47.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.43 -27.27 62.61 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.731 2.287 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.28 -36.87 83.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.362 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.88 -38.63 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.41 -43.84 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.341 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.11 98.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.91 -39.97 96.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.94 89.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.428 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.39 -39.69 88.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.426 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -54.41 -38.79 66.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -149.83 139.6 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -98.64 140.81 32.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -147.87 151.75 36.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.27 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -89.66 129.92 36.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.403 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 84.3 m-85 -120.36 104.71 10.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.03 137.82 40.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.083 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.5 m -127.22 131.29 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.561 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -105.66 -29.41 10.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.99 29.77 2.7 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.4 tp -85.19 131.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.611 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.8 t -130.27 129.88 43.85 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.174 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 15.7 p 39.98 -163.54 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.971 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -110.47 -4.01 15.76 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.13 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -76.73 -10.21 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.39 6.01 47.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.35 179.539 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 79.4 t -63.87 -38.48 37.11 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 30.8 Cg_exo -62.68 -38.53 49.43 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -65.38 -44.64 94.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.98 -43.69 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.532 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.07 -32.06 73.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.756 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -62.45 -40.14 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.868 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.6 mm -62.03 -47.41 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.765 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.0 mp -62.21 -37.95 87.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.287 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.41 -41.69 85.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.204 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -65.16 -32.62 74.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.37 150.34 38.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -107.59 146.46 31.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.3 -20.69 39.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 45' ' ' VAL . 11.6 m -72.83 130.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.377 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -97.61 -54.3 3.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.22 159.52 44.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.132 0.491 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.46 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.1 p90 -157.85 160.91 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t -146.5 133.3 20.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.165 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -101.27 112.18 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.437 HG22 ' H ' ' A' ' 54' ' ' SER . 64.6 mt -108.41 100.14 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -74.44 -39.56 3.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.622 179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.9 -33.91 73.92 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.229 1.953 . . . . 0.0 112.069 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.437 ' H ' HG22 ' A' ' 51' ' ' ILE . 47.4 t -109.93 3.41 20.51 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 48.62 39.64 13.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.714 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.7 m -127.35 134.53 49.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.09 129.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -118.58 130.36 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.145 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' A' ' 21' ' ' PHE . 3.8 p -140.94 137.99 34.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.897 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.8 t -108.82 127.29 65.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.446 ' ND1' HG23 ' A' ' 66' ' ' ILE . 19.7 p80 -156.64 159.53 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.554 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.15 120.94 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.402 . . . . 0.0 110.163 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -59.36 -42.46 91.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.508 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.9 mm? -61.91 -46.52 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 65' ' ' LEU . 5.9 tt -68.52 -46.74 68.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.562 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.446 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.8 tt -140.73 135.7 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.153 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.484 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . 70.2 m -76.92 148.41 78.86 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.313 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.94 -48.89 17.48 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.753 1.635 . . . . 0.0 112.74 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.484 ' CE2' ' CB ' ' A' ' 67' ' ' SER . 14.4 p90 -55.58 -29.7 59.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -56.72 -40.77 76.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.245 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.73 -43.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.81 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.93 -41.33 99.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.12 98.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.33 -39.84 92.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.838 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -54.96 -39.16 68.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.468 179.843 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.439 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.833 0.349 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.522 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -154.77 168.3 27.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.39 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.447 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -82.92 103.86 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.996 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 t -100.66 139.02 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.385 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -103.74 133.65 48.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.804 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 32.5 m-85 -122.67 134.02 54.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.168 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.82 107.3 18.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -93.59 91.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.53 -39.73 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.47 44.49 1.43 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 26' ' ' ILE . 9.3 tp -89.73 129.6 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.243 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.46 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 t -125.81 129.61 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.0 p 40.66 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.678 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -7.25 15.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.173 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -68.54 -15.52 63.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.3 -5.03 59.21 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -55.45 -57.08 22.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 14.9 Cg_endo -53.9 -37.53 85.53 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.357 2.038 . . . . 0.0 112.235 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.8 mp -65.13 -43.55 95.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.65 -44.64 99.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.08 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -63.56 -39.17 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.23 -44.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.4 mp -63.52 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -58.07 -40.96 82.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 t -62.07 -41.23 97.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.74 146.14 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -103.8 148.08 26.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -23.28 34.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.2 m -66.51 132.19 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -98.76 -55.72 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.89 158.58 43.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.464 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CD2' HD23 ' A' ' 39' ' ' LEU . 9.7 p90 -157.73 162.74 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.759 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -145.36 132.39 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -100.85 114.48 40.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.187 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -111.32 97.9 6.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -74.17 -38.99 3.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.534 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 36.0 Cg_exo -56.52 -29.92 80.45 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.731 2.287 . . . . 0.0 112.157 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.5 t -112.35 0.99 15.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 50.46 34.74 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.4 m -121.19 134.68 55.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.56 131.78 66.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.909 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.5 tt -125.33 130.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.99 131.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.45 125.84 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' ND1' HG23 ' A' ' 66' ' ' ILE . 12.0 p80 -153.68 157.83 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -82.69 117.04 22.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.058 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -52.55 -36.75 56.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.186 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 tp -63.09 -51.7 65.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.59 -45.01 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.012 0.434 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' ND1' ' A' ' 61' ' ' HIS . 15.9 tt -147.23 138.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.677 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 160.67 39.57 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.34 -29.16 63.3 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.849 2.366 . . . . 0.0 111.715 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.05 -43.12 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.437 ' OE1' ' CD1' ' A' ' 66' ' ' ILE . 46.9 tt0 -63.6 -42.48 98.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.658 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.29 -44.57 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.22 89.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.53 -41.16 98.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.61 83.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.32 -42.52 96.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.43 -39.13 93.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.716 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -51.68 -34.52 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.481 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.494 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -153.38 160.26 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.465 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -79.47 137.66 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.324 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -147.5 144.03 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.275 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -104.84 130.12 53.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -113.42 116.86 30.3 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.401 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.0 108.74 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.05 129.94 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.182 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.27 -1.33 28.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.435 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.65 19.18 38.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 26' ' ' ILE . 17.4 tt -83.54 130.63 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.353 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.8 t -113.1 130.8 56.06 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.9 p 40.47 -164.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.636 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 29' ' ' THR . 55.1 m -108.78 -11.79 15.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.462 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -66.92 -14.47 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.12 -5.15 59.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -48.92 -56.7 13.99 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.026 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 16.7 Cg_endo -54.88 -42.08 72.35 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.618 2.212 . . . . 0.0 111.888 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.5 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.421 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.85 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.24 -34.29 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.452 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.62 -38.84 86.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.53 -44.27 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.569 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.71 -38.75 75.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.86 147.39 52.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.257 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 40.4 p-10 -106.85 111.99 24.76 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.94 -15.89 2.82 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.0 m -78.41 132.03 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -100.45 -47.43 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.67 157.37 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -158.4 160.28 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 p -146.87 128.36 15.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.08 109.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.454 HG22 ' H ' ' A' ' 54' ' ' SER . 67.0 mt -108.28 102.04 13.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.0 110.095 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.62 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.49 -41.1 4.59 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.305 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.53 -32.39 63.27 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.0 t -110.04 1.38 18.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.454 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 48.91 37.43 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.6 m -127.51 134.21 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.29 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.79 131.37 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 pt -124.09 136.37 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.96 136.53 26.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.453 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.93 126.24 59.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.432 ' ND1' HG23 ' A' ' 66' ' ' ILE . 21.7 p80 -153.01 162.64 41.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.689 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -81.25 118.71 22.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 t -60.67 -42.64 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.809 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.52 -47.03 85.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.828 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 65' ' ' LEU . 1.9 tt -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.412 0.625 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.0 tt -143.34 137.13 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 p -89.96 155.22 47.56 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.85 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.22 -34.58 79.81 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.531 2.154 . . . . 0.0 112.332 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -56.42 -38.09 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.625 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.66 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -44.4 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -66.53 -40.98 89.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.728 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.19 -43.79 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.44 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.23 81.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.07 -41.45 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 82' ' ' ALA . 81.0 m-20 -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.761 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -49.68 -24.74 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.386 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.772 0.32 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -150.04 169.23 21.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 N--CA 1.465 0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.446 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.899 0.38 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.31 141.48 35.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.198 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -148.85 157.27 43.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.61 127.28 53.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.214 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 41.5 m-85 -110.93 115.68 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -83.18 116.93 22.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.98 96.51 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.9 mm? -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 45.99 3.11 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 26' ' ' ILE . 8.7 tp -88.44 130.17 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.243 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 28' ' ' CYS . 3.7 t -131.83 131.38 42.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 27' ' ' CYS . 13.0 p 39.93 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.508 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -8.52 14.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -63.62 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -88.11 4.26 46.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -59.63 -56.03 39.86 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 21.4 Cg_endo -58.67 -31.18 94.25 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.96 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -65.76 -44.92 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.36 -44.38 97.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.51 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -63.12 -38.9 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.33 -44.49 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.46 -39.17 93.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.27 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -57.52 -39.29 76.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.402 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.7 m -61.68 -33.66 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.587 HD22 ' OE1' ' A' ' 70' ' ' GLN . 67.9 mt -72.16 146.26 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -109.18 111.38 22.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.53 -17.11 2.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.8 m -75.58 132.7 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.57 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -95.26 -48.46 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -156.39 157.6 35.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -158.31 159.69 36.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -143.36 134.41 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.9 t -101.81 116.34 45.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 54' ' ' SER . 64.5 mt -113.33 98.9 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.008 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.635 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.32 -39.67 4.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.451 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.4 Cg_exo -55.18 -31.13 74.55 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.542 2.162 . . . . 0.0 112.208 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 51' ' ' ILE . 85.5 p -111.9 2.07 16.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 49.38 36.55 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.2 m -123.58 133.14 54.0 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.45 133.04 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.187 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.5 tt -125.1 130.6 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.7 132.9 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.638 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 t -105.19 123.43 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.1 p80 -149.62 163.24 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.408 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -85.27 118.43 24.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.02 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.6 p -56.49 -21.14 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.491 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.86 -55.05 5.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.2 -43.78 90.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.6 tt -146.02 141.08 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.24 163.01 19.1 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.09 -36.48 96.34 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.15 -39.3 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.634 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.587 ' OE1' HD22 ' A' ' 42' ' ' LEU . 2.0 tm0? -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.292 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.27 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -64.33 -38.24 90.35 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.81 97.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.609 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.54 -40.39 95.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.34 -24.85 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.567 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -53.26 -31.87 45.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.551 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -151.14 169.44 21.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.355 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.211 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.075 0.464 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.26 131.31 37.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.097 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -134.75 150.02 50.51 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -114.63 128.84 56.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.555 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 7.7 m-85 -120.34 118.68 31.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.59 139.57 38.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.221 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 82' ' ' ALA . 2.8 m -122.91 125.88 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.078 0.466 . . . . 0.0 110.255 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -107.7 -19.28 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.462 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.75 17.67 55.67 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 26' ' ' ILE . 10.1 tp -76.41 129.25 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.447 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -127.9 136.45 51.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 29' ' ' THR . 13.6 p 37.24 -143.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.686 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 t -130.56 -4.74 4.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.7 t -62.46 -19.24 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 54.6 mp0 -85.05 -7.1 59.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -45.99 -57.6 7.84 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 20.0 Cg_endo -56.56 -42.41 65.61 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.36 2.04 . . . . 0.0 112.435 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.04 -43.36 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.502 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.48 -44.95 99.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.49 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.67 -33.24 75.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 0.0 110.626 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.29 -38.75 92.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.756 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.67 -44.79 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.29 -39.36 93.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.8 -37.96 71.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.385 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 t -61.79 -39.97 93.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -69.34 139.53 54.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.547 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -100.54 110.82 23.01 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.536 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.01 -20.81 2.13 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 45' ' ' VAL . 10.4 m -74.5 129.05 36.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -94.67 -48.0 6.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -155.06 158.29 38.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.653 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -158.69 158.75 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.864 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -144.19 133.42 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.8 t -100.7 115.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.221 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -115.2 101.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.89 0.376 . . . . 0.0 110.021 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.92 -40.45 3.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 179.401 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 52.0 Cg_exo -53.41 -36.1 78.01 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.488 2.125 . . . . 0.0 112.32 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.476 ' H ' HG22 ' A' ' 51' ' ' ILE . 10.6 t -111.21 17.25 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.759 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.0 ptp180 33.83 41.9 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.35 0.406 . . . . 0.0 111.105 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.9 m -126.25 132.42 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.273 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.5 t -120.03 129.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.699 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -123.87 142.84 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -149.48 138.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -106.26 127.48 61.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -154.94 162.4 41.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -85.6 118.24 24.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.13 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 t -59.36 -41.9 90.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.55 -49.18 77.7 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.3 tt -66.65 -46.76 74.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.0 110.551 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.12 135.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 155.34 70.67 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.59 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.39 -27.54 71.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.855 2.37 . . . . 0.0 111.79 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -62.96 -37.06 85.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.92 -40.87 96.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.45 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.56 -44.27 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.69 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.55 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.01 -40.1 96.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.43 80.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.04 -39.23 90.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -62.46 -38.72 90.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -49.48 -33.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.627 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.477 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -154.44 157.94 39.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.552 179.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.398 -179.887 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.978 0.418 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.73 137.82 37.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.205 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -149.77 152.61 35.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.226 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -111.82 128.69 56.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.302 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.78 106.77 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.151 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.94 117.39 24.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.39 131.25 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 110.279 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.1 mt -105.04 -20.55 13.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.46 31.13 2.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 26' ' ' ILE . 20.7 tt -84.86 124.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.827 0.346 . . . . 0.0 110.431 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 28' ' ' CYS . 9.4 t -94.66 134.22 37.47 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 27' ' ' CYS . 14.3 p 34.69 -151.66 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.089 0.243 . . . . 0.0 111.251 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 47.6 p -130.43 -0.65 4.47 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.884 0.374 . . . . 0.0 110.462 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.32 -6.26 50.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.14 0.97 42.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 t -41.75 -57.7 3.78 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.3 Cg_endo -57.2 -39.25 91.83 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.978 1.785 . . . . 0.0 112.132 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.283 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.39 -32.8 73.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.378 . . . . 0.0 110.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.43 -39.25 93.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.971 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.61 -46.38 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.496 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.2 mp -65.09 -38.9 92.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.346 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.35 -39.73 76.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 -40.97 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.615 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.92 144.31 56.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.66 149.15 23.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.409 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.03 -21.94 43.38 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.5 m -68.09 131.78 33.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.41 . . . . 0.0 110.281 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -97.36 -50.71 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -156.8 161.09 39.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -158.46 159.69 35.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -143.64 136.63 27.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.261 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.3 t -102.95 111.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.957 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' OG ' ' A' ' 54' ' ' SER . 55.1 mt -99.9 109.53 24.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.35 -43.37 4.32 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.359 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 49.1 Cg_endo -68.37 -16.2 43.19 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.839 1.692 . . . . 0.0 112.894 -177.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.448 ' OG ' ' CG2' ' A' ' 51' ' ' ILE . 24.4 p -117.53 2.25 12.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.857 0.36 . . . . 0.0 110.447 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 42.87 23.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' SER . 58.4 m -110.82 134.68 52.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.139 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -109.68 130.14 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.777 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.4 tt -119.76 131.61 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.377 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.27 134.01 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.384 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -103.64 120.31 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.757 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' HG23 ' A' ' 66' ' ' ILE . 21.4 p80 -149.96 154.2 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.506 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.63 125.94 31.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -58.43 -40.01 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.481 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.44 -52.48 65.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.89 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.17 -43.77 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.747 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.2 tt -149.88 133.23 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.36 161.94 35.75 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.1 -34.84 93.95 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.338 2.025 . . . . 0.0 112.297 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.03 -40.48 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.57 -44.77 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.41 -43.86 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.37 99.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.678 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.2 -39.83 94.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.725 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.83 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.834 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.21 -39.07 93.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' N ' HD22 ' A' ' 76' ' ' ASN . 3.2 m120 -59.83 -38.48 82.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.341 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.95 -33.85 67.44 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.861 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.761 0.315 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -131.86 140.17 49.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.427 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.806 0.336 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -78.88 132.14 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -133.53 141.76 47.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.208 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -105.51 128.75 53.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.188 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 26.2 m-85 -109.97 131.64 54.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.213 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.09 112.34 24.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.218 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 23' ' ' VAL . 4.2 p -114.85 122.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.1 mt -105.73 -7.04 18.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.546 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.65 18.98 47.46 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 26' ' ' ILE . 7.9 tp -88.95 129.39 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.517 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.2 p -132.46 159.9 38.01 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 45.4 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.43 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -3.31 5.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.663 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -75.33 -8.96 58.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 56.9 mp0 -87.65 -6.02 58.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.615 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.5 t -51.45 -55.29 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.215 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 19.0 Cg_endo -58.21 -38.67 90.12 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.561 2.174 . . . . 0.0 112.0 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.17 -42.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.266 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.82 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.95 -33.58 75.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -65.39 -38.81 91.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.586 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.05 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.79 -39.12 93.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.75 -40.45 79.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 m -60.55 -34.01 73.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.7 147.03 43.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -100.99 141.63 33.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.08 -17.75 40.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.1 m -69.5 131.15 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.666 0.27 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -102.5 -50.76 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.62 156.86 38.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -160.53 161.08 32.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.808 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -148.67 138.05 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.69 119.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.6 mt -109.21 113.53 44.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 121.236 0.541 . . . . 0.0 109.768 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.672 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.09 -45.81 4.74 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.07 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 42.7 Cg_endo -68.71 -12.18 33.92 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.504 2.136 . . . . 0.0 112.433 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.6 m -121.84 8.62 9.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' SER . 34.2 ptt180 32.04 35.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' SER . 91.4 m -122.48 132.88 54.55 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.56 133.66 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.216 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -126.76 141.03 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.356 0.598 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -149.58 136.62 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.58 128.56 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -152.77 162.16 41.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.08 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -57.9 -36.96 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.13 -51.1 61.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.751 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.2 tt -64.94 -46.62 80.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 110.416 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -143.42 140.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.08 160.8 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.559 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.78 -25.35 60.88 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.701 2.267 . . . . 0.0 111.953 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.68 -38.63 88.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -64.62 -41.44 96.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.76 -44.0 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.536 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.74 -42.12 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.65 -39.25 93.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.0 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.9 -40.32 91.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 61.1 m-80 -61.62 -38.91 89.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.496 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -51.61 -40.87 60.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 179.806 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.809 0.338 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.19 146.83 51.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.083 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 . . . . . 0 N--CA 1.464 0.256 0 CA-C-O 121.011 0.434 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.67 140.67 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.766 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -140.27 144.8 36.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.221 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.06 126.81 47.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.242 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.87 122.13 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.693 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -90.8 111.18 22.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 t -99.77 88.9 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.549 ' N ' HD22 ' A' ' 24' ' ' LEU . 4.0 mm? -65.61 -40.96 93.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.542 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.72 33.35 0.6 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.3 tt -89.56 128.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.228 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.1 t -120.1 129.01 53.99 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.126 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 41.04 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 29' ' ' THR . 85.1 m -104.69 -12.47 16.35 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.365 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -67.18 -11.83 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.762 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -89.98 8.01 34.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.215 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.565 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.5 t -60.99 -41.59 82.37 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 34.3 Cg_exo -59.68 -38.79 79.14 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.593 2.196 . . . . 0.0 112.028 -179.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -65.17 -44.99 95.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.367 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.34 -43.97 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.445 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.84 -31.73 72.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.01 -40.64 96.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.768 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.44 -46.16 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.88 -40.15 96.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.196 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.16 -39.94 80.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.277 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.9 m -61.24 -36.16 79.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.21 141.96 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.65 107.54 18.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.03 -13.6 1.69 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 45' ' ' VAL . 12.4 m -77.99 128.13 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.81 -47.03 6.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -156.88 156.63 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -156.91 159.62 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -143.34 136.9 28.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.11 116.62 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 ' H ' ' A' ' 54' ' ' SER . 40.0 mt -107.14 100.14 10.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.522 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 m -76.0 -36.33 1.89 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.852 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 60.4 Cg_endo -72.8 -13.5 26.78 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.11 1.206 . . . . 0.0 112.771 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.417 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.4 m -121.0 0.39 10.22 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 49.02 39.37 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -130.21 141.17 50.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.26 131.72 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -120.89 130.28 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.347 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.17 134.33 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.88 126.52 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.565 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.8 p80 -154.22 152.79 30.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.516 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.01 119.91 14.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.191 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -43.03 97.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.512 ' N ' HD22 ' A' ' 64' ' ' LEU . 4.0 mm? -62.89 -47.18 84.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.967 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.9 tt -67.3 -46.41 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.224 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' ND1' ' A' ' 61' ' ' HIS . 17.1 tt -144.56 139.53 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 161.28 33.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.02 -24.55 52.52 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.62 2.213 . . . . 0.0 111.688 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.81 -37.49 86.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.92 -38.58 86.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -44.49 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -65.85 -40.04 91.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.63 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -63.67 -41.1 98.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.497 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.6 97.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.409 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.79 -38.7 89.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.745 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 63.7 m-20 -60.6 -39.73 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.416 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.27 -28.76 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.88 0.371 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.533 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -152.89 167.29 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.7 mt 58.08 169.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.322 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.645 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 1.2 pm0 -66.46 -37.79 85.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' C ' ' N ' ' A' ' 7' ' ' GLU . 18.6 t-20 58.91 56.83 3.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -55.47 -9.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.471 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' ASN . 44.4 tp10 -57.31 -22.83 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.191 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.59 -51.63 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.586 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.84 -51.95 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.697 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.1 tttt 46.19 57.11 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -62.74 -43.68 98.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -141.15 144.12 34.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.2 t -63.3 -51.12 75.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.7 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -177.93 70.41 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.647 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -132.51 139.85 48.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.065 0.46 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.29 -172.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -134.23 111.43 10.25 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 0.0 110.351 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -83.72 138.33 33.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.142 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -134.09 149.87 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.89 133.77 51.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.1 m-85 -119.79 135.71 54.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.105 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -98.48 108.09 20.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.114 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.49 93.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.9 mm? -72.52 -36.63 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.675 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.43 22.24 1.36 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.662 HD13 ' N ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -89.71 123.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.662 ' N ' HD13 ' A' ' 26' ' ' ILE . 23.3 p -134.32 159.7 40.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.179 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 44.92 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -121.23 -4.65 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -73.67 -15.42 61.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.624 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -85.26 -4.89 59.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.462 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -48.85 -56.76 13.58 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.7 Cg_endo -54.2 -41.62 74.37 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.334 2.023 . . . . 0.0 112.122 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.22 -43.55 97.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.406 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.0 -44.3 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.07 -32.48 73.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.559 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -62.35 -39.15 92.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.536 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.66 -45.17 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.292 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 39' ' ' LEU . 10.1 mp -64.81 -38.77 92.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.942 0.401 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.09 -39.59 82.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.327 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.9 p -61.04 -33.03 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.495 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.9 mt -73.83 146.05 44.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 62.1 t0 -102.81 144.14 31.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.251 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.525 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 103.15 -19.43 46.2 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 45' ' ' VAL . 13.9 m -66.88 133.18 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.539 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -96.42 -54.61 3.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -155.8 159.69 39.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.488 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.83 161.58 36.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.635 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 t -148.47 140.7 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.372 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.63 117.72 47.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.321 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.82 92.08 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 110.004 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.679 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -74.47 -35.34 2.16 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.804 178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.7 Cg_exo -54.6 -35.86 87.59 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.101 1.867 . . . . 0.0 112.019 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -111.25 1.88 17.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.769 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 54.74 52.7 11.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.626 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -140.63 145.46 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.6 t -127.25 130.17 70.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.591 ' C ' HD12 ' A' ' 58' ' ' ILE . 1.1 pp -122.5 137.4 56.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.046 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -147.36 138.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.225 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -110.39 126.08 67.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.543 ' HD1' HG23 ' A' ' 66' ' ' ILE . 14.4 p80 -151.9 163.18 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.04 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -86.94 120.14 27.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -57.18 -35.92 70.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.548 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 64' ' ' LEU . 10.4 mp -63.56 -48.09 78.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.74 -44.52 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.543 HG23 ' HD1' ' A' ' 61' ' ' HIS . 18.4 tt -150.15 135.61 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.15 162.84 29.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.004 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.21 -32.59 93.99 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.511 2.141 . . . . 0.0 112.036 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.54 -39.73 80.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.693 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.31 -43.4 98.91 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.404 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.74 -44.38 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.38 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.16 93.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -63.5 -39.37 94.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.16 95.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.29 -36.76 83.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.655 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -60.94 -37.46 82.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.512 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -53.16 -44.59 67.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.581 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' CB ' HD13 ' A' ' 80' ' ' LEU . . . -75.2 -10.43 59.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.729 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' C ' HD12 ' A' ' 80' ' ' LEU . 63.1 ttp85 69.49 47.78 0.65 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.868 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 79' ' ' ARG . 8.9 mp -105.35 5.43 31.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.196 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' LEU . 51.2 mt-10 54.87 105.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.145 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -129.29 139.94 51.6 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.324 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -145.85 141.89 28.29 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -89.76 114.23 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.303 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 38.64 91.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.759 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 86' ' ' VAL . 33.5 m -71.77 128.27 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -95.21 1.13 54.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.464 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 58.37 -131.61 52.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -160.39 -13.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.0 m 43.47 79.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.3 m -74.47 143.23 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 93' ' ' LYS . 47.1 p90 -62.95 -46.97 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 92' ' ' PHE . 87.8 tttt -156.02 -21.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.502 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -85.98 103.68 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.514 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -146.44 78.59 1.51 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.756 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -98.54 115.73 29.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.995 0.426 . . . . 0.0 109.909 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.565 ' N ' HD13 ' A' ' 3' ' ' LEU . 60.0 tt0 -97.2 116.6 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.064 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -89.48 118.34 29.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.336 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.34 -32.41 73.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -51.85 -29.22 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 6.4 mp0 -65.17 -20.8 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.326 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -60.28 -39.64 87.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -139.91 139.51 36.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.56 -41.28 98.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.415 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 56.44 108.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 13' ' ' VAL . 6.0 m -72.82 135.57 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 16' ' ' LEU . 44.5 mmtm -92.58 -73.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.474 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER 51.57 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.182 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.9 mm? -73.55 141.09 46.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -111.97 108.01 17.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.199 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.95 131.81 35.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.813 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.0 m -139.19 148.6 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.216 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -109.26 128.31 54.96 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.074 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.7 m-85 -112.34 105.0 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 99.5 m-20 -72.2 138.67 47.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.274 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.9 m -128.29 129.48 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.406 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -108.82 -18.96 13.57 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.428 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.91 36.71 3.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 26' ' ' ILE . 16.9 tt -86.05 122.99 39.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.357 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.7 t -100.63 130.09 46.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.5 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.5 p 39.77 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.63 -1.53 9.0 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.161 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.451 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 99.5 p -76.23 -7.59 55.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.464 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.88 5.47 36.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -53.62 -57.0 19.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.0 Cg_endo -57.4 -32.35 93.74 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.173 1.916 . . . . 0.0 112.233 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.17 -42.8 88.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.392 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -62.83 -44.18 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.333 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 110.608 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.76 -38.22 89.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.522 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' A' ' 41' ' ' SER . 95.6 mt -62.99 -44.19 99.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.52 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.07 -36.25 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.988 0.423 . . . . 0.0 110.38 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.41 -39.05 75.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.355 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 82.6 p -64.9 -33.6 76.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.63 141.1 48.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -104.52 108.47 19.92 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.371 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.97 -13.68 1.92 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 45' ' ' VAL . 10.5 m -80.04 127.12 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 110.647 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -93.19 -47.98 6.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.546 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.71 156.14 34.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -157.33 163.17 38.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.718 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -149.7 144.71 26.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.283 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.96 122.84 61.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.052 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 54' ' ' SER . 60.1 mt -118.83 99.67 8.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.628 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.18 -40.34 3.55 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.697 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 48.7 Cg_exo -54.45 -38.83 89.68 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.599 2.199 . . . . 0.0 112.286 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' ILE . 61.2 m -100.7 -4.45 28.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.61 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 53.75 46.4 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.688 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.1 m -133.85 148.98 51.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.7 t -120.4 133.29 67.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.942 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.1 tt -125.43 130.04 72.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.345 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -145.95 132.38 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.258 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 t -104.01 124.99 58.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.8 p80 -149.88 163.74 37.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -81.81 116.74 21.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.868 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -57.61 -39.82 77.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.54 -52.24 61.98 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.016 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.3 tt -65.23 -45.61 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG23 ' ND1' ' A' ' 61' ' ' HIS . 16.6 tt -144.08 136.52 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.32 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.81 163.06 21.04 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.8 -33.47 81.19 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.576 2.184 . . . . 0.0 111.991 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -56.19 -43.45 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.721 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -61.87 -42.85 99.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.7 -44.22 96.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.506 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.79 -40.39 95.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.467 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.24 98.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.571 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.66 -35.08 79.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.594 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.16 -37.2 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.619 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -53.94 -38.31 64.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.42 ' CB ' HD13 ' A' ' 80' ' ' LEU . . . -74.35 -9.36 58.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' C ' HD12 ' A' ' 80' ' ' LEU . 52.5 ttt85 69.07 49.46 0.63 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 79' ' ' ARG . 8.9 mp -106.18 0.24 25.16 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.918 0.39 . . . . 0.0 110.373 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 54.13 63.42 2.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.151 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -96.66 145.91 25.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.398 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -148.77 152.9 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 179.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t -74.16 143.01 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.424 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -40.29 139.67 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.9 p -142.0 152.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.512 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -77.57 96.46 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.19 92.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 54.57 172.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 p -80.86 160.81 24.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.8 m -171.43 90.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.434 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -132.36 145.51 51.3 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.206 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -86.67 -91.42 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.064 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 93' ' ' LYS . 16.8 m120 -138.47 148.79 44.76 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.644 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -62.76 -42.64 99.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.747 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.458 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 4' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 3' ' ' LEU . 9.9 mp 55.06 6.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.52 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 2' ' ' ALA . 88.3 mt-30 -133.2 -85.02 0.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.513 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 17.6 p30 -94.41 131.47 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -129.62 -10.05 4.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -69.54 -34.53 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -60.4 -46.2 90.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -80.09 -12.84 59.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt 54.64 172.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.592 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' VAL . 65.0 mttp -63.31 -41.64 98.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt 53.39 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.527 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 11' ' ' LYS . 11.1 p -99.89 123.5 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.963 0.411 . . . . 0.0 110.227 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -111.67 15.89 20.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.352 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' H ' HG22 ' A' ' 13' ' ' VAL . 36.0 ttpt -52.16 -71.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.621 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.7 mm? 43.2 -168.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -127.73 109.63 11.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.368 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 54.3 mtmt -78.42 138.74 38.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -143.37 142.13 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.301 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -108.79 127.25 53.85 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.359 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -112.46 123.12 49.59 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.06 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -94.08 111.18 22.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.83 128.02 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.45 -22.66 16.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.88 33.72 2.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 26' ' ' ILE . 9.5 tp -89.49 130.33 38.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.6 t -129.72 131.15 46.22 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 40.56 -163.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.812 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.34 -1.88 15.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.296 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -73.12 -12.41 60.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.531 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -92.21 7.26 43.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.2 179.429 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.604 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 48.3 t -64.63 -39.94 44.76 Favored Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 39.0 Cg_exo -60.63 -43.25 33.66 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.636 2.224 . . . . 0.0 111.973 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.26 -43.67 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.707 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.52 -45.01 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.427 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.39 -33.69 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.872 0.367 . . . . 0.0 110.612 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -62.99 -37.89 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mm -62.99 -44.48 99.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.45 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.17 -38.43 91.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.809 0.337 . . . . 0.0 110.351 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -57.46 -40.61 78.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.7 p -60.83 -34.05 73.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.21 145.41 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.485 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -105.57 110.69 23.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 142.74 -17.68 2.4 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.1 m -74.22 130.17 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.993 0.425 . . . . 0.0 110.445 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -97.1 -47.19 5.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.478 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.33 158.74 36.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.71 160.39 36.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 t -144.62 131.6 20.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.131 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.51 115.76 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.918 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 54' ' ' SER . 63.6 mt -113.98 99.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.011 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.74 -39.76 3.71 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 50.4 Cg_exo -54.63 -35.91 88.05 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.437 2.092 . . . . 0.0 112.256 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.493 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.8 m -103.57 -3.28 25.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.62 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 53.56 41.17 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.916 0.388 . . . . 0.0 110.693 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.7 m -129.57 140.99 51.06 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.295 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 68.6 t -117.33 130.59 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.963 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.4 mt -122.7 130.32 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.82 133.62 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.381 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.2 t -105.04 127.68 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.77 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.469 ' ND1' HG23 ' A' ' 66' ' ' ILE . 24.8 p80 -153.87 163.01 40.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -80.45 118.95 22.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.017 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -58.62 -43.32 89.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.71 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.1 tt -61.91 -52.98 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.592 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD23 ' O ' ' A' ' 65' ' ' LEU . 1.6 tt -63.34 -46.09 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.088 0.471 . . . . 0.0 110.647 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.469 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.5 tt -144.41 139.13 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.179 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 162.61 20.42 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.798 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.45 -33.15 84.98 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.365 2.044 . . . . 0.0 112.235 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -56.55 -38.1 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.775 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -42.42 93.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.42 -44.13 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.51 96.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -39.39 94.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.423 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.85 94.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.83 -34.62 78.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -61.28 -35.79 78.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.579 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.98 -38.69 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB3' ' HG ' ' A' ' 80' ' ' LEU . . . -68.45 -13.14 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.395 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 62.6 51.13 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.079 0.466 . . . . 0.0 110.59 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -125.96 24.88 6.91 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.036 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 80' ' ' LEU . 80.2 tt0 46.97 100.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.393 . . . . 0.0 110.688 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.0 138.92 37.68 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.69 169.25 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 86' ' ' VAL . 18.5 t -82.8 126.64 40.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' VAL . 76.5 ttt180 36.43 -90.0 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.036 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' VAL . 79.1 t -80.21 133.34 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.146 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 16.4 p30 -89.9 129.66 36.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.85 134.94 12.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -70.18 134.61 48.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.572 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.8 p -83.82 162.7 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 93' ' ' LYS . 17.0 m -82.66 160.82 22.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 54.06 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 91' ' ' SER . 9.8 ttmm 72.02 23.37 3.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -61.92 -49.81 74.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.71 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -68.52 -45.07 73.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.756 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.492 -179.771 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.585 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.7 mm? -78.79 140.34 38.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.494 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -146.87 153.49 40.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -141.68 129.68 21.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.44 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -139.49 -23.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.89 -36.55 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -65.97 -32.66 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.566 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -57.59 -35.77 70.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.357 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -78.49 104.87 9.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.552 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.84 -44.3 93.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt 42.5 46.01 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 13' ' ' VAL . 8.5 p -104.92 129.24 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.113 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 15' ' ' LYS . 98.5 mttt -141.41 175.04 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.385 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 14' ' ' LYS . 1.4 ttpp -56.7 -159.02 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.514 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.4 mp -41.6 112.4 0.31 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.171 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -108.92 117.19 33.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.895 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.81 136.74 37.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.171 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -137.08 152.93 50.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.05 124.68 49.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.015 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -112.16 120.39 41.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -89.63 114.34 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.386 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.5 m -109.08 126.75 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.068 0.461 . . . . 0.0 110.239 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.9 tp -107.11 -32.14 7.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.597 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.24 37.87 1.79 Allowed Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 26' ' ' ILE . 9.7 tp -83.61 127.19 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.196 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' CYS . 8.2 t -113.41 132.08 55.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.193 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 27' ' ' CYS . 13.4 p 36.59 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 111.024 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 48.4 p -126.08 0.56 7.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -76.07 -6.42 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.57 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -84.99 1.59 46.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.253 -179.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.499 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.8 t -43.96 -57.26 6.29 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 27.5 Cg_endo -58.59 -37.29 95.15 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 122.162 1.908 . . . . 0.0 111.812 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.1 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.29 -44.52 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.414 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -33.13 73.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.605 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -62.55 -39.72 94.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' A' ' 78' ' ' ALA . 5.5 mm -62.78 -45.79 97.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.93 0.395 . . . . 0.0 110.484 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.7 mp -65.61 -38.44 89.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.37 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.97 -39.0 77.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.281 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.7 t -62.07 -38.29 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.573 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.34 144.34 51.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 51.0 p-10 -100.97 145.94 28.03 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.285 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.19 -21.38 37.79 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.7 m -70.39 131.24 34.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.94 0.4 . . . . 0.0 110.513 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -97.07 -49.84 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -157.22 163.28 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -157.17 162.8 39.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -144.37 137.22 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -111.61 120.55 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.021 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 54' ' ' SER . 63.9 mt -109.97 113.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.939 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.632 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 19.3 t -73.89 -45.7 6.8 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.801 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 39.4 Cg_endo -65.48 -15.21 48.68 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.12 1.88 . . . . 0.0 112.645 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.2 t -114.75 -1.99 13.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 43.88 27.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.821 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.5 m -119.98 133.51 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.063 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -109.14 127.79 65.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.4 mt -116.38 129.94 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.19 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.98 132.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.69 122.81 56.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.905 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' ND1' HG23 ' A' ' 66' ' ' ILE . 13.3 p80 -151.72 162.52 40.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -85.65 114.27 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.88 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.7 p -51.88 -31.77 29.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.133 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.8 tp -66.33 -53.62 34.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.82 -43.61 88.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.0 tt -147.8 135.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.612 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.93 161.57 43.72 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 -25.35 48.21 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.635 2.223 . . . . 0.0 111.703 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -63.63 -37.26 86.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.36 -41.48 89.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.36 -44.31 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.435 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.88 -40.01 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.493 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -64.63 -37.35 87.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.11 94.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.76 -38.8 92.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.507 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 67.2 m-80 -61.63 -39.04 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.553 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.46 -41.13 84.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.403 ' HB2' HD11 ' A' ' 38' ' ' ILE . . . -80.55 38.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.537 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 50.35 18.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.41 92.59 4.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.185 0.517 . . . . 0.0 110.06 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 133.66 56.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.121 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -147.23 147.24 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 16.3 p30 -145.63 138.85 26.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.512 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.31 144.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.467 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -44.61 134.96 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.6 m -77.86 152.25 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 89' ' ' GLU . 60.4 t30 -63.12 138.43 58.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 89' ' ' GLU . . . -73.4 38.08 0.84 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 87' ' ' ASN . 82.3 tt0 58.46 146.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.534 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.5 HG22 ' H ' ' A' ' 91' ' ' SER . 2.0 m -157.67 -135.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.465 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.5 ' H ' HG22 ' A' ' 90' ' ' THR . 5.4 m 54.75 -170.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.371 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 91' ' ' SER . 90.7 m-85 55.43 115.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 94' ' ' ASN . 68.6 mttm -68.15 151.46 46.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.487 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 93' ' ' LYS . 18.8 p30 43.12 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -144.96 152.6 40.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.9 t90 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.462 179.781 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -63.31 -41.13 98.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.54 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -66.53 144.95 56.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.648 ' ND2' ' H ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -75.91 118.98 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.44 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -78.11 -14.48 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.479 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.648 ' H ' ' ND2' ' A' ' 5' ' ' ASN . 96.6 mt-10 -67.37 -38.19 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.81 -27.06 68.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -62.84 -34.74 77.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.369 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.86 142.41 58.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' LYS . 69.0 mttm -61.84 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.642 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' LYS . 17.6 tptp 58.35 147.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 13' ' ' VAL . 13.9 p -70.83 131.36 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.327 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -147.63 153.96 40.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -139.74 0.07 1.77 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.453 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.52 -157.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.213 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -121.26 125.28 46.7 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.912 0.387 . . . . 0.0 110.198 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -85.08 136.91 33.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.375 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -134.2 152.84 52.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.079 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.7 141.85 44.78 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.135 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CE2' HG22 ' A' ' 84' ' ' VAL . 40.1 m-85 -131.6 151.88 51.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.057 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -128.29 113.21 15.35 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.208 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.6 m -103.34 103.25 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.21 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 26' ' ' ILE . 55.3 tp -64.97 -40.73 95.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.301 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.21 40.42 0.34 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.0 tp -89.2 130.74 38.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.758 0.313 . . . . 0.0 110.252 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 7.9 t -128.9 130.83 47.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.794 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' OG ' ' A' ' 30' ' ' SER . 14.4 p 39.36 -160.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.959 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 32' ' ' VAL . 72.0 p -113.94 -1.3 13.85 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.216 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.502 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 61.9 p -76.72 -9.0 58.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.698 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.87 6.87 44.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.08 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.594 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 54.9 t -63.55 -40.55 59.04 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.551 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 38.5 Cg_exo -60.46 -42.93 36.96 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.612 2.208 . . . . 0.0 111.741 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.44 -43.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -45.0 99.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.74 -35.75 75.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.895 0.379 . . . . 0.0 110.716 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.32 -37.96 85.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.672 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mm -62.22 -44.65 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.347 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 48' ' ' TYR . 9.8 mp -63.43 -39.59 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.533 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -58.35 -38.91 78.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.449 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.44 -40.13 93.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.558 HD22 ' NE2' ' A' ' 70' ' ' GLN . 67.9 mt -70.11 147.67 49.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.532 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -108.82 105.7 15.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.61 -18.37 1.0 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 45' ' ' VAL . 8.5 m -79.74 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.56 -47.7 6.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.464 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -151.44 159.09 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CD2' HD23 ' A' ' 39' ' ' LEU . 8.6 p90 -162.92 163.16 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 t -152.59 140.45 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.376 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.55 116.03 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 54' ' ' SER . 62.6 mt -105.81 101.39 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.006 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.624 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -75.69 -40.42 3.24 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.72 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.5 Cg_exo -54.22 -35.36 82.67 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.536 2.157 . . . . 0.0 112.314 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.466 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.8 t -108.71 4.8 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 46.88 39.1 6.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.682 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 57' ' ' VAL . 25.8 m -126.45 156.58 40.42 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.1 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' N ' HG22 ' A' ' 56' ' ' THR . 61.3 t -125.59 135.18 64.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' ILE . 13.1 tt -122.39 130.12 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.291 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -145.47 135.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.424 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -104.62 128.52 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.682 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.456 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.4 p80 -156.72 161.48 39.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -82.59 119.39 24.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -59.06 -42.39 90.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.602 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.5 tt -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.438 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.9 tt -63.66 -46.54 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.743 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD11 HE21 ' A' ' 70' ' ' GLN . 19.5 tt -142.2 135.44 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.027 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -86.13 153.46 56.93 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.201 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.38 -35.68 85.09 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.376 2.05 . . . . 0.0 112.214 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -58.73 -37.7 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.558 ' NE2' HD22 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -61.32 -43.2 99.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.52 -44.34 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.43 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.3 92.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.774 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.72 97.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.664 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 73.6 mt -65.28 -38.98 91.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.719 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.22 -27.31 67.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -49.5 -32.14 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.49 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.74 34.52 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 59.5 21.91 10.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.789 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.48 177.67 5.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.19 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -135.33 69.97 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.271 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.34 142.94 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.275 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -141.68 131.12 23.76 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 85' ' ' ARG . 7.9 t -80.49 111.45 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.431 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 84' ' ' VAL . 60.9 ttp180 56.32 155.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.438 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.57 165.89 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.184 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.71 132.41 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.45 99.35 0.18 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.32 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.392 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.9 p 45.07 57.71 4.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.706 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 26.0 p -79.19 153.93 29.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.583 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CG ' ' O ' ' A' ' 91' ' ' SER . 67.9 m-85 -156.78 160.42 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -140.67 137.03 33.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -94.0 101.61 13.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.335 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -90.25 120.74 31.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.251 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 21.9 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.749 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.9 mm? -62.99 -41.56 99.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -140.04 151.99 45.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.491 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -84.43 179.42 7.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -91.87 3.27 55.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -59.01 -23.13 61.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.8 -34.76 79.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -61.52 -38.63 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.414 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.93 106.33 17.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -64.88 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.788 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.78 126.45 26.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.492 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.94 -44.64 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.22 133.47 52.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 pttm -172.36 146.18 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' N ' HD22 ' A' ' 16' ' ' LEU . 4.0 mm? 51.85 -171.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -113.15 108.92 17.96 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.631 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 58.8 mttp -81.73 140.26 34.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.114 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.412 ' OG ' ' CE1' ' A' ' 21' ' ' PHE . 3.1 t -141.39 147.34 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -107.74 135.05 49.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' CE1' ' OG ' ' A' ' 19' ' ' SER . 64.3 m-85 -125.23 130.86 52.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -98.76 110.27 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.209 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.44 114.76 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.372 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.6 mt -102.22 -9.23 20.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.34 35.3 5.11 Favored Glycine 0 N--CA 1.464 0.539 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -89.85 134.62 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -131.87 145.44 51.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.408 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 6.9 p 43.67 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.212 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 29' ' ' THR . 60.3 m -129.11 -6.05 4.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.24 -9.57 58.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 16.4 pt-20 -90.12 9.48 28.12 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.591 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 6.6 t -57.21 -42.89 98.47 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.169 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.5 Cg_exo -59.34 -34.88 97.73 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.687 2.258 . . . . 0.0 111.678 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.78 -43.16 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.467 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.88 -47.78 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.467 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.18 -32.1 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.498 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -62.98 -39.1 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.62 -44.75 99.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.558 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.57 -40.14 96.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.275 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -56.34 -40.31 74.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 t -61.71 -40.46 95.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.548 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.0 149.15 51.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.376 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.4 p-10 -105.11 146.61 28.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.28 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.94 -22.81 34.13 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.0 m -70.86 131.0 34.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.469 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -95.67 -49.68 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.06 164.4 35.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -157.28 161.6 39.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 m -146.34 118.71 8.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.6 t -89.36 121.91 40.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.107 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 54' ' ' SER . 60.5 mt -109.48 102.2 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.125 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.638 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.73 -40.77 4.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.46 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -54.05 -34.51 77.89 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.54 2.16 . . . . 0.0 112.13 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.3 t -108.74 2.35 21.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.502 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 52.16 21.47 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.9 m -106.12 139.12 41.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.276 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.65 130.39 67.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.32 129.86 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.51 133.78 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.462 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.0 t -104.05 123.44 57.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.999 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.45 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.8 p80 -153.27 166.07 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.632 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -90.13 120.63 31.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.093 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -56.72 -37.82 71.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.735 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 64' ' ' LEU . 4.0 mm? -61.58 -50.92 70.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.922 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.78 -45.02 72.41 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.45 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.2 tt -148.6 133.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.608 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.02 162.37 30.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.745 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -55.79 -34.96 92.74 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.577 2.185 . . . . 0.0 112.349 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -56.59 -39.74 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -63.7 -43.28 97.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.523 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.47 -44.06 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.378 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.7 95.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -63.49 -39.0 93.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.6 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.05 96.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.552 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.24 -39.06 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.714 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -61.23 -38.9 88.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.521 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -54.05 -37.75 64.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.57 13.76 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.627 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 57.4 21.92 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.9 -16.77 54.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.75 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 55.85 107.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.563 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.3 148.4 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.597 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -151.74 148.3 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.03 135.15 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -40.69 121.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.773 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 p -140.07 150.37 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.127 0.489 . . . . 0.0 110.348 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 27.9 p30 -63.39 144.29 57.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.413 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.4 173.98 44.93 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -129.5 134.2 47.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.8 p -136.11 158.79 43.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 92' ' ' PHE . 46.9 t -144.88 137.8 26.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.389 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 91' ' ' SER . 79.1 m-85 40.57 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.486 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -139.9 109.05 6.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.03 -40.59 98.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.574 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -134.27 149.17 50.91 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.432 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 96' ' ' TRP . 73.5 t-105 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.8 mm? -82.35 137.47 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.467 ' NE2' ' OE1' ' A' ' 7' ' ' GLU . 29.3 mm100 -70.02 124.59 24.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.292 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 7' ' ' GLU . 64.3 t30 -141.02 106.32 5.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 54.33 7.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.5 mt-10 -64.84 -19.13 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.26 -22.42 66.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.47 -36.27 83.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -152.17 104.64 2.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -64.13 -47.28 80.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HZ3' ' HD3' ' A' ' 14' ' ' LYS . 22.9 pttp -145.52 149.82 35.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.655 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 14' ' ' LYS . 14.1 p -65.68 -29.96 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.593 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' LYS . 28.1 tptp 57.15 115.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.433 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 14' ' ' LYS . 54.8 tttt 52.66 170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.5 mm? 53.42 167.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -145.44 108.44 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -78.53 136.31 37.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.023 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 t -141.21 144.45 34.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.227 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -106.27 136.44 45.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.098 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 27.3 m-85 -122.99 135.83 54.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -108.6 107.42 17.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.7 m -98.42 96.62 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 26' ' ' ILE . 56.2 tp -64.05 -41.66 97.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.33 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.47 36.95 0.34 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.5 tt -89.64 131.61 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.278 . . . . 0.0 110.445 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.9 t -116.59 128.84 55.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.505 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 40.13 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.665 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.58 ' O ' HG22 ' A' ' 29' ' ' THR . 55.5 m -111.68 -3.74 14.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.456 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 57.7 p -76.18 -7.34 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.665 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -90.65 8.67 33.16 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.402 0.439 . . . . 0.0 110.176 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 15.7 t -62.49 -41.71 75.17 Favored Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.3 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 36.4 Cg_exo -59.08 -44.63 33.17 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.685 2.257 . . . . 0.0 111.836 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.49 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.68 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.46 -44.75 99.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.21 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.54 -33.82 75.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -61.33 -39.16 89.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.752 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.3 mp -63.1 -38.98 93.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.414 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.82 -40.98 85.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.413 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -62.65 -32.71 73.81 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.543 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -73.6 146.0 45.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.454 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -103.54 142.85 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.204 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.15 -16.67 45.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 45' ' ' VAL . 17.1 m -73.84 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.361 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -98.2 -53.49 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -153.15 159.26 42.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.762 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.456 ' CD2' HD23 ' A' ' 39' ' ' LEU . 8.9 p90 -160.89 162.53 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 t -150.58 136.89 18.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.4 115.56 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.019 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.467 HG22 ' H ' ' A' ' 54' ' ' SER . 68.0 mt -109.15 100.11 10.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.631 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.34 -39.59 3.18 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.767 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 53.0 Cg_exo -53.6 -36.25 80.2 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.478 2.119 . . . . 0.0 112.345 -178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.467 ' H ' HG22 ' A' ' 51' ' ' ILE . 46.5 t -106.52 -0.75 23.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.563 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 53.38 43.46 31.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.7 m -134.03 147.39 50.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.7 t -120.22 130.52 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.8 tt -116.04 129.7 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.118 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.27 138.22 23.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.44 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -111.41 125.84 68.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.468 ' ND1' HG23 ' A' ' 66' ' ' ILE . 24.6 p80 -153.41 163.52 39.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.608 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -86.06 115.47 23.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -53.9 -20.49 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.612 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.66 -43.31 94.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.748 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.468 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.4 tt -145.48 139.18 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.12 162.19 22.93 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.46 -35.24 96.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.459 2.106 . . . . 0.0 112.273 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.87 -41.24 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.763 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -64.32 -42.39 96.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.604 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.37 -44.55 97.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.38 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.31 -38.3 90.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.08 -40.14 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -60.51 -27.07 67.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.637 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 79' ' ' ARG . 96.7 mt-10 -49.36 -38.2 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.451 ' HB3' HD13 ' A' ' 80' ' ' LEU . . . -78.14 22.03 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.529 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 77' ' ' GLU . 13.2 tpp180 70.36 25.59 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 78' ' ' ALA . 11.0 mp -99.55 179.16 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.065 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 79.5 mm-40 -136.06 73.93 1.48 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.183 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.71 138.39 52.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.103 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 81' ' ' GLU . 18.1 m-80 -132.4 134.38 45.06 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.148 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.9 t -90.24 106.9 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 39.89 87.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.99 133.73 30.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -150.53 78.95 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.456 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.07 164.54 53.73 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.02 127.76 33.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.568 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.2 p -85.3 -68.06 0.76 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.586 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.8 p -161.03 162.21 31.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 51.5 p90 -146.37 134.92 22.09 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.379 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -77.68 -74.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.95 91.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.606 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -63.29 -42.19 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.469 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 tp 39.48 71.08 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.605 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -172.91 80.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.212 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -142.64 -3.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.332 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -66.64 -35.47 80.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.77 -34.88 76.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -64.89 -39.8 94.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 10' ' ' LYS . 80.3 mm-40 -69.14 -26.18 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.623 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' GLU . 18.1 ptpt 38.77 -161.2 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -66.5 -42.75 86.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.491 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? 56.62 105.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.242 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.67 160.12 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.321 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -152.13 -81.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -146.62 16.01 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.625 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.6 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.6 mm? -76.23 149.44 37.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.419 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -107.87 108.62 19.87 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.3 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -90.82 139.16 31.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.262 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.6 m -137.26 149.37 47.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.075 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -105.51 124.58 49.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 20.5 m-85 -107.07 118.0 35.56 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.1 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 55' ' ' ARG . 59.8 t0 -85.87 104.92 15.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.21 113.67 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.533 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.8 mm? -93.45 -10.06 36.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.568 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.08 31.79 7.01 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 26' ' ' ILE . 15.9 tt -87.08 128.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.0 t -113.13 130.85 56.05 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.498 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.9 p 39.72 -158.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.588 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -6.29 11.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.248 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.431 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 67.0 p -69.63 -12.62 61.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.75 -4.16 59.09 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.363 -179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -49.28 -56.71 14.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -54.37 -39.73 86.0 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.124 1.883 . . . . 0.0 112.268 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.8 -43.3 96.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.464 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.48 -44.49 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.277 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.92 -33.87 76.53 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.937 0.398 . . . . 0.0 110.701 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.2 t-20 -62.29 -39.25 92.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.99 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.594 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.2 mp -64.32 -37.76 88.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.009 0.433 . . . . 0.0 110.14 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.68 -41.14 81.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.505 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.8 p -63.17 -33.91 76.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -72.34 148.31 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 50.8 p30 -104.86 150.3 24.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.304 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.32 -21.24 47.03 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 45' ' ' VAL . 15.6 m -69.05 133.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.39 . . . . 0.0 110.333 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -95.0 -54.06 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -157.65 162.81 38.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.979 0.418 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.3 p90 -158.35 162.49 37.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 t -146.71 134.53 21.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.3 t -100.0 116.5 43.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.184 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 54' ' ' SER . 66.1 mt -111.72 99.54 8.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.643 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.7 OUTLIER -74.63 -39.41 3.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.576 179.328 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 42.8 Cg_exo -56.26 -28.81 73.38 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.444 2.096 . . . . 0.0 112.296 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' H ' HG22 ' A' ' 51' ' ' ILE . 56.6 p -118.16 16.51 14.07 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.701 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.4 ptm180 34.4 41.63 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.313 0.383 . . . . 0.0 111.001 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -125.44 136.44 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.25 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.2 t -114.87 131.8 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' ILE . 12.9 tt -125.83 131.54 71.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.192 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.66 135.23 22.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.529 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.53 128.18 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.611 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.497 ' HD1' HG23 ' A' ' 66' ' ' ILE . 14.8 p80 -158.24 161.67 37.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.594 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -88.68 118.1 28.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.087 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -53.34 -37.24 62.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.36 -53.02 61.98 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.89 -43.92 82.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.025 0.441 . . . . 0.0 110.621 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' HD1' ' A' ' 61' ' ' HIS . 19.7 tt -150.26 131.4 4.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 163.01 36.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.991 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.53 -34.05 94.2 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.469 2.113 . . . . 0.0 112.038 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -57.16 -42.66 81.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.72 -43.33 90.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.304 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -44.22 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.09 -45.27 92.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -62.04 -40.46 95.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.636 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.63 87.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 110.354 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.88 -37.26 85.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 49.1 m-80 -59.83 -38.74 82.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.341 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.41 -33.48 54.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.648 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' CB ' HD13 ' A' ' 80' ' ' LEU . . . -80.19 -7.56 59.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.0 110.611 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.458 ' C ' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER 71.0 46.43 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 79' ' ' ARG . 8.7 mp -105.01 10.44 34.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.215 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 44.8 65.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.241 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.65 147.13 25.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.437 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 0.5 OUTLIER -158.55 136.01 10.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.412 179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.4 t -54.31 147.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.196 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -39.69 119.2 0.94 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.459 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.8 t -93.12 116.53 34.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -150.27 98.6 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.508 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.64 156.75 7.47 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -159.13 108.08 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.672 0.272 . . . . 0.0 110.29 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.7 m -125.56 129.46 49.75 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.5 p -155.42 159.57 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.442 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -156.33 138.62 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -153.01 136.43 15.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 96' ' ' TRP . 66.5 t30 -170.76 92.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.18 -41.64 98.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.489 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 3.8 m-90 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.49 124.59 50.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -120.55 12.67 11.58 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' C ' ' H ' ' A' ' 7' ' ' GLU . 29.1 t-20 -45.24 -86.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.582 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 55.08 9.4 0.32 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.327 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.6 mt-10 -69.14 -34.58 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.484 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -62.73 -34.24 76.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.0 -44.96 91.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -87.89 48.7 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.724 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 12' ' ' LYS . 63.7 pttt -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.606 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 11' ' ' LYS . 63.4 tttm 58.59 122.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 13' ' ' VAL . 30.3 m -87.7 171.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.657 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 56.6 75.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -148.54 161.97 40.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.501 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.4 mt 59.16 -172.27 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -108.95 117.99 35.64 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.857 0.36 . . . . 0.0 110.392 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 99.96 11.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.801 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -92.26 151.23 20.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.141 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -104.14 132.5 50.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.018 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 24.2 m-85 -119.52 129.61 54.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.995 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -99.49 114.34 27.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.203 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -100.08 111.01 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.199 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.2 mt -94.89 -6.88 41.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.94 28.27 13.61 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 26' ' ' ILE . 16.6 tt -85.13 130.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.301 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.507 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 2.8 t -116.07 130.57 56.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.7 p 41.91 -168.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.814 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.8 p -102.39 -9.61 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.193 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.3 t -65.85 -17.3 64.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -86.47 -2.21 58.26 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 -179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -53.24 -56.68 21.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 28.0 Cg_endo -59.18 -31.9 96.15 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.076 1.851 . . . . 0.0 112.224 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 mm -64.3 -43.53 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.32 -43.65 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.426 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.22 -32.84 73.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -61.15 -39.88 91.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.601 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.494 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 34.7 mm -62.83 -45.65 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.546 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.8 mp -63.32 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -57.63 -41.07 80.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.425 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 38' ' ' ILE . 87.8 p -64.09 -33.26 75.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.56 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.94 146.31 41.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.643 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 44' ' ' GLY . 53.1 t0 -101.68 151.3 22.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.258 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . 99.52 -24.42 32.28 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.8 m -68.14 133.28 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.443 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -99.77 -55.29 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.16 161.72 42.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.636 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -158.69 159.73 35.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -143.21 133.99 25.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.187 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -100.25 113.72 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 54' ' ' SER . 66.3 mt -108.5 100.21 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.633 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.06 -39.77 3.41 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.3 Cg_exo -54.63 -34.54 83.67 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.543 2.162 . . . . 0.0 112.185 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.1 t -108.1 2.28 22.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 48.61 38.21 10.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.3 m -125.77 131.98 52.39 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.361 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.59 129.07 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.137 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.4 tt -120.79 132.19 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.381 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -142.72 134.26 24.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 t -103.87 124.51 58.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.618 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.487 ' ND1' HG23 ' A' ' 66' ' ' ILE . 13.9 p80 -155.13 156.54 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.661 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -80.66 119.33 23.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.226 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -57.02 -30.03 63.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.245 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.7 -53.23 29.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.784 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.1 -43.99 85.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.014 0.435 . . . . 0.0 110.815 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.487 HG23 ' ND1' ' A' ' 61' ' ' HIS . 18.3 tt -148.25 135.43 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.146 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.73 162.12 28.24 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.774 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.38 -33.76 86.64 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.499 2.132 . . . . 0.0 112.292 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.84 -42.3 79.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.708 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -61.63 -43.04 99.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.527 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.459 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.68 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.618 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.53 -38.85 92.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' ' 38' ' ' ILE . . . -58.74 -45.21 90.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.345 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.52 -39.25 93.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -60.45 -39.47 87.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.35 -39.05 89.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.63 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' HB3' HD23 ' A' ' 80' ' ' LEU . . . -81.11 4.5 19.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.583 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 61.28 47.09 7.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.459 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 78' ' ' ALA . 4.3 mm? -100.8 -3.13 30.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.542 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' LEU . 78.3 tt0 42.53 94.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.945 0.403 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.87 158.2 43.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.365 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -150.18 168.93 22.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.333 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 85' ' ' ARG . 16.2 t -92.31 111.82 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.538 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' O ' ' O ' ' A' ' 84' ' ' VAL . 79.1 ttt-85 57.56 133.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.621 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.1 p -143.97 143.6 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.66 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 88' ' ' GLY . 20.5 p30 -63.02 -40.3 97.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.215 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 87' ' ' ASN . . . 71.55 159.71 3.85 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -164.95 113.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.777 0.323 . . . . 0.0 110.251 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.5 p -83.26 162.19 21.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -161.21 161.98 31.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -148.27 153.26 38.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.364 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -85.48 -78.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.602 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -166.3 135.46 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.5 132.55 47.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.524 ' OXT' ' CD1' ' A' ' 96' ' ' TRP . 76.8 t-105 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.644 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.27 -42.79 99.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.475 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 49.84 86.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -64.53 -36.94 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -62.2 -38.74 90.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.389 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.67 -40.04 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.436 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -38.95 84.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -65.89 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -83.55 123.35 29.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.45 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.54 -44.67 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.676 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.7 tttp 40.45 61.87 1.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 14' ' ' LYS . 33.3 m -61.64 -42.94 96.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.568 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' N ' HG23 ' A' ' 13' ' ' VAL . 46.9 tttp 53.57 167.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 56.0 mtpt -60.79 -40.63 93.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.352 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.6 mm? -80.88 137.06 36.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -108.1 108.87 20.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.04 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -97.17 115.36 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.198 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -110.57 151.14 27.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -101.99 123.73 46.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.441 . . . . 0.0 110.135 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 38.6 m-85 -107.2 125.72 51.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.859 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -86.76 109.35 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.135 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.58 111.32 28.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.546 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 24' ' ' LEU . 9.5 mp -94.26 -22.75 18.19 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.13 21.72 7.86 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 26' ' ' ILE . 17.5 tt -87.19 131.64 34.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.377 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -120.58 135.4 55.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.794 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 29' ' ' THR . 14.3 p 38.99 -139.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.604 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -133.32 -4.48 3.01 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 110.733 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.451 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 85.1 p -64.17 -19.15 65.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.65 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.577 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 55.1 mp0 -87.6 4.26 44.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -50.52 -56.63 17.33 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.679 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.6 Cg_endo -58.53 -32.43 96.52 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.193 1.929 . . . . 0.0 112.033 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.4 mm -68.08 -43.16 85.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.406 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.98 -44.18 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.27 -33.94 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.459 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -61.68 -39.01 89.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.73 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.0 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.391 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.9 mp -64.67 -38.72 91.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.746 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -57.83 -34.81 70.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -58.01 -24.36 57.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.403 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.1 mt -80.73 -164.95 0.79 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 43' ' ' ASP . 22.5 p-10 -143.95 -53.88 0.35 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.39 -16.34 2.26 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 45' ' ' VAL . 20.9 m -74.53 131.56 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -100.15 -52.32 3.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -151.41 160.42 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 110.621 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 39' ' ' LEU . 6.8 p90 -159.76 162.02 34.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 t -144.98 137.41 26.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.433 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -97.03 116.46 39.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.151 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' SER . 65.2 mt -111.28 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.383 0.611 . . . . 0.0 110.147 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.678 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.17 -34.94 1.77 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 114.997 -1.002 . . . . 0.0 110.059 177.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.678 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.3 Cg_exo -55.33 -37.26 94.71 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.124 1.883 . . . . 0.0 112.098 -177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.41 ' H ' HG22 ' A' ' 51' ' ' ILE . 84.9 p -110.67 2.11 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.597 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 55.56 52.82 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.7 m -136.99 152.77 50.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.6 t -125.9 133.59 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 58' ' ' ILE . 11.9 tt -127.4 131.48 70.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.359 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -143.89 134.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.456 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 t -105.03 125.27 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.426 ' ND1' HG23 ' A' ' 66' ' ' ILE . 22.1 p80 -150.37 161.09 43.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -88.22 119.59 28.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.108 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -53.8 -23.78 13.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.52 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.7 mt -76.25 -54.97 6.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.04 -43.41 92.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.955 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.8 tt -146.1 149.1 16.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.425 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.69 162.3 20.13 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.22 -33.41 95.93 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.524 2.149 . . . . 0.0 112.125 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.44 -40.42 91.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -64.2 -40.71 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.21 -44.29 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -38.48 91.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.582 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -63.27 -40.64 97.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.73 91.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.377 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.63 -37.73 87.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.651 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -61.52 -38.44 87.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.575 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -58.0 -37.94 75.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.518 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.61 -1.35 37.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.614 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 63.23 40.1 9.08 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.274 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' O ' ' O ' ' A' ' 81' ' ' GLU . 9.2 mp -102.05 -3.14 28.11 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.478 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 80' ' ' LEU . 96.6 mt-10 56.78 123.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.452 0.47 . . . . 0.0 110.342 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.44 137.49 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 0.0 110.362 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.44 127.4 29.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.35 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' ARG . 99.1 t -69.18 151.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.816 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' VAL . 6.0 mtm180 -32.31 105.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.643 0.589 . . . . 0.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 32.6 m -83.81 154.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.362 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 55.45 34.52 23.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.38 134.33 6.79 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -162.13 121.52 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.419 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 m -65.02 -71.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 t 51.38 86.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.396 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -99.32 118.39 35.87 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -84.29 130.38 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.43 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -89.03 109.01 19.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.486 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -94.94 143.51 26.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.395 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 91.5 t90 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.372 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.596 ' H ' HD22 ' A' ' 3' ' ' LEU . 3.8 mm? 42.97 89.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.66 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.593 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 1.2 pm0 -96.93 3.94 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -70.35 118.21 12.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.468 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.18 3.04 43.5 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.441 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.24 -39.06 91.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.472 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -65.55 -33.61 76.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -63.06 -33.66 75.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.69 130.2 45.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -64.16 -41.55 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.579 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 53.57 15.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.326 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t 43.16 69.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -87.23 -83.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -140.27 100.09 3.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.7 mt 40.4 -158.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -113.72 115.59 28.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.098 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -92.1 138.6 31.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -133.42 151.53 51.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.203 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -105.17 134.52 48.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.1 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 43.6 m-85 -120.97 132.66 55.06 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.044 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.8 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.09 88.18 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-O 120.948 0.404 . . . . 0.0 110.283 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -66.38 -41.39 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.204 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 31.63 0.35 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.536 ' H ' ' C ' ' A' ' 24' ' ' LEU . 9.6 tp -89.35 130.05 39.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.865 0.364 . . . . 0.0 110.248 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -132.6 141.29 48.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.914 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 7.6 p 43.78 -169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.59 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 p -122.11 -8.61 8.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.382 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.0 t -66.11 -20.91 66.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 12.7 pt-20 -91.04 9.66 29.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.39 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t -60.49 -42.4 88.38 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 31.3 Cg_exo -58.9 -33.91 98.85 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.652 2.235 . . . . 0.0 111.56 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.08 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.427 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.91 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.586 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -63.78 -34.48 78.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.19 -40.24 96.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.12 -44.43 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.52 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.418 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.93 -38.71 83.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.298 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.8 m -61.48 -36.18 79.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.694 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.76 148.13 46.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.634 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 55.3 p-10 -104.67 148.67 26.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.257 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.35 -21.9 41.12 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' VAL . 15.9 m -72.11 130.37 35.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 0.0 110.402 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -93.64 -51.4 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.664 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -154.35 161.28 41.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -162.5 162.14 27.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -149.97 142.25 24.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.09 118.41 45.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.226 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 54' ' ' SER . 66.3 mt -109.67 91.26 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.23 0.538 . . . . 0.0 110.104 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.674 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 2.0 m -75.47 -34.39 1.58 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.953 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 43.0 Cg_exo -55.29 -37.86 94.18 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.086 1.857 . . . . 0.0 112.354 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 51' ' ' ILE . 85.7 p -111.78 3.54 17.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.564 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.46 52.78 10.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.678 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 57' ' ' VAL . 73.1 m -135.43 155.63 50.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.296 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' N ' HG22 ' A' ' 56' ' ' THR . 62.6 t -128.0 133.23 67.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ILE . 13.9 tt -125.7 129.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.269 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.12 136.99 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.35 125.39 63.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.485 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.2 p80 -156.08 159.93 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.487 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -86.34 117.54 25.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 t -54.5 -22.89 14.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 73.0 mt -74.64 -55.17 6.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.555 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.04 -42.93 93.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.486 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.485 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.5 tt -148.38 133.81 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.371 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.02 162.22 31.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.09 -34.34 92.48 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.626 2.217 . . . . 0.0 112.183 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -56.79 -40.25 75.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -64.09 -42.89 96.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.427 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.03 -44.76 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.582 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -67.44 -39.81 85.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.425 ' HA ' HD22 ' A' ' 76' ' ' ASN . 38.0 ttmt -64.27 -38.56 91.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.03 92.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.71 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.03 -39.14 89.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 69.6 m-80 -61.45 -34.76 75.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' A' ' 79' ' ' ARG . 81.1 mm-40 -48.68 -38.05 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.613 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 15.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.398 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.502 ' H ' ' C ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 70.88 33.02 2.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.555 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 79' ' ' ARG . 10.8 mp -105.37 -168.8 1.51 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -144.55 74.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.384 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.3 155.73 25.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.259 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -151.62 140.57 21.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.246 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 85' ' ' ARG . 6.8 t -88.99 110.16 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 0.0 110.235 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' VAL . 11.0 tpp85 39.31 92.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.2 m -68.83 132.79 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.454 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -138.64 115.16 10.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.86 12.88 59.28 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.03 -39.1 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 110.608 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 61.1 p -107.32 126.69 52.77 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.348 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 m -153.56 152.82 31.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -154.75 156.06 35.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 94' ' ' ASN . 25.7 pttm -167.42 -165.12 0.65 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.375 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 94' ' ' ASN . 4.7 p-10 43.92 48.07 7.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -64.96 -35.13 80.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.639 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 4' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 3' ' ' LEU . 9.8 mp 56.01 -75.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.675 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 2' ' ' ALA . 78.9 mt-30 53.11 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.478 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 6.4 p30 -68.09 90.93 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -83.49 -12.87 55.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 10' ' ' LYS . 96.9 mt-10 -62.15 -18.02 59.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.536 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.95 -31.95 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.358 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.52 -39.3 93.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.61 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 7' ' ' GLU . 17.3 tptm -118.86 124.92 48.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 12' ' ' LYS . 40.1 mmtm -64.09 -44.18 93.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 11' ' ' LYS . 56.8 tttp 45.28 98.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 129.69 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -157.7 148.17 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 16' ' ' LEU . 46.5 tttp 39.89 -131.76 0.28 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 15' ' ' LYS . 4.4 mm? 53.76 167.75 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.629 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -141.02 114.18 8.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.44 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -81.86 137.22 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.9 t -137.72 142.68 41.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.39 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -102.99 135.47 44.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.283 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 m-85 -120.83 131.48 54.46 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.002 0.43 . . . . 0.0 110.212 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -90.33 117.12 28.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.55 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG12 ' HB2' ' A' ' 82' ' ' ALA . 2.9 m -111.78 127.17 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.214 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -114.61 -28.42 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.685 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.33 12.69 9.23 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 26' ' ' ILE . 16.4 tt -89.46 131.19 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.53 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.445 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 30.0 p -132.09 137.81 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.441 ' SG ' ' C ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 58.65 165.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.427 -179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 t -98.47 0.6 45.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.9 t -74.95 -12.47 60.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.67 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 56.0 mp0 -91.68 9.23 33.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.686 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.63 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 41.5 t -62.03 -41.37 75.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 32.0 Cg_exo -61.16 -42.68 34.04 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 122.847 2.365 . . . . 0.0 111.817 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.34 -43.31 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.255 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.0 -44.77 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.256 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.14 -33.19 75.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -63.99 -37.38 87.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.25 -45.25 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 39' ' ' LEU . 10.5 mp -63.88 -38.86 92.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.507 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -57.79 -37.97 74.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.223 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -61.82 -39.61 92.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.404 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.15 144.93 53.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 43.1 p-10 -104.84 112.56 25.72 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.34 -20.76 2.61 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 45' ' ' VAL . 12.4 m -72.07 131.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.551 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -98.98 -47.92 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.49 159.7 41.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.401 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.3 p90 -162.4 161.25 27.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 t -147.96 134.31 19.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.45 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 t -100.16 116.44 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.458 HG22 ' H ' ' A' ' 54' ' ' SER . 55.1 mt -115.21 100.27 10.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 121.002 0.429 . . . . 0.0 109.986 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.65 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.94 -39.56 3.42 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.143 178.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 47.1 Cg_exo -55.2 -33.13 83.32 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.739 2.293 . . . . 0.0 111.808 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.458 ' H ' HG22 ' A' ' 51' ' ' ILE . 10.1 t -108.82 1.09 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.394 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 49.39 39.29 16.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.2 m -125.48 139.78 53.34 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.75 131.12 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.6 tt -124.42 130.44 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.594 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.07 134.54 18.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.561 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.46 128.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.314 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.3 p80 -155.79 158.63 38.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -78.75 116.18 18.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.415 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 t -58.05 -41.91 84.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.479 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.47 -48.79 78.07 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.987 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.1 tt -67.38 -46.87 72.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.164 0.507 . . . . 0.0 110.486 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG23 ' ND1' ' A' ' 61' ' ' HIS . 18.2 tt -142.08 136.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.399 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.14 159.8 47.28 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.43 -27.27 62.61 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.731 2.287 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.28 -36.87 83.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.362 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -64.88 -38.63 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.41 -43.84 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.341 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.11 98.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.953 0.406 . . . . 0.0 110.496 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.91 -39.97 96.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.94 89.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.428 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.53 -37.0 84.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.649 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.39 -39.69 88.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.426 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -54.41 -38.79 66.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.42 4.4 18.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.596 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 60.02 40.66 18.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 110.277 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 81' ' ' GLU . 4.1 tp -97.18 -2.8 42.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 80' ' ' LEU . 36.8 tp10 49.86 101.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.449 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -142.01 149.48 40.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.448 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -149.83 139.6 21.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.578 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.73 139.81 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.582 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -44.14 141.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.1 m -114.48 135.75 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.504 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -54.19 118.14 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.49 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 159.4 -133.26 3.29 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 56.98 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -133.38 159.11 41.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 110.538 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -148.5 148.58 30.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.469 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -89.24 120.43 30.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -161.55 22.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -61.87 -40.57 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -70.56 133.98 47.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 89.8 t90 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.528 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.6 mm? -80.37 138.85 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.444 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -82.48 173.8 11.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.535 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 7' ' ' GLU . 16.0 t-20 57.03 49.47 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -52.21 -9.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.517 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 5' ' ' ASN . 97.0 mt-10 -55.02 -17.27 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -62.05 -37.64 85.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -76.62 71.01 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.622 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.48 119.63 15.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.2 m -140.13 160.32 26.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.11 139.21 41.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.462 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.68 143.13 26.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -93.22 -137.4 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.281 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -103.72 121.66 43.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -98.64 140.81 32.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.149 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -147.87 151.75 36.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.27 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -89.66 129.92 36.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.403 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 84.3 m-85 -120.36 104.71 10.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -76.03 137.82 40.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.083 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 82' ' ' ALA . 3.5 m -127.22 131.29 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.561 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -105.66 -29.41 10.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.99 29.77 2.7 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.4 tp -85.19 131.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.611 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 10.8 t -130.27 129.88 43.85 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.174 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 15.7 p 39.98 -163.54 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.971 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -110.47 -4.01 15.76 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.13 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -76.73 -10.21 59.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -91.39 6.01 47.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.35 179.539 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 79.4 t -63.87 -38.48 37.11 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 30.8 Cg_exo -62.68 -38.53 49.43 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -65.38 -44.64 94.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.98 -43.69 97.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.532 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.07 -32.06 73.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.756 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -62.45 -40.14 95.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.868 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.6 mm -62.03 -47.41 93.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.765 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.0 mp -62.21 -37.95 87.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.287 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.41 -41.69 85.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.204 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.8 p -65.16 -32.62 74.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.0 mt -75.37 150.34 38.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -107.59 146.46 31.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.336 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.3 -20.69 39.44 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 45' ' ' VAL . 11.6 m -72.83 130.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.377 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -97.61 -54.3 3.17 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.532 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.22 159.52 44.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.132 0.491 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.46 ' CD2' HD23 ' A' ' 39' ' ' LEU . 5.1 p90 -157.85 160.91 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t -146.5 133.3 20.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.165 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -101.27 112.18 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.437 HG22 ' H ' ' A' ' 54' ' ' SER . 64.6 mt -108.41 100.14 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.61 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -74.44 -39.56 3.91 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.622 179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.9 -33.91 73.92 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.229 1.953 . . . . 0.0 112.069 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.437 ' H ' HG22 ' A' ' 51' ' ' ILE . 47.4 t -109.93 3.41 20.51 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 48.62 39.64 13.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.714 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.7 m -127.35 134.53 49.96 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.6 t -115.09 129.98 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.9 mt -118.58 130.36 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.145 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' A' ' 21' ' ' PHE . 3.8 p -140.94 137.99 34.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.897 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.8 t -108.82 127.29 65.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.446 ' ND1' HG23 ' A' ' 66' ' ' ILE . 19.7 p80 -156.64 159.53 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.554 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.15 120.94 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.402 . . . . 0.0 110.163 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -59.36 -42.46 91.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.621 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' N ' HD22 ' A' ' 64' ' ' LEU . 3.9 mm? -61.91 -46.52 89.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 65' ' ' LEU . 5.9 tt -68.52 -46.74 68.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.562 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.446 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.8 tt -140.73 135.7 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.153 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.484 ' CB ' ' CE2' ' A' ' 69' ' ' PHE . 70.2 m -76.92 148.41 78.86 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.313 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.94 -48.89 17.48 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.753 1.635 . . . . 0.0 112.74 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.484 ' CE2' ' CB ' ' A' ' 67' ' ' SER . 14.4 p90 -55.58 -29.7 59.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -56.72 -40.77 76.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.245 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.73 -43.47 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.464 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.81 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.93 -41.33 99.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.12 98.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.428 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.33 -39.84 92.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.838 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.625 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 79' ' ' ARG . 65.8 mm-40 -54.96 -39.16 68.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.483 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.28 30.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.468 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 77' ' ' GLU . 5.2 mmp_? 55.15 27.15 9.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.802 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 tt -118.48 98.95 6.51 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.946 0.403 . . . . 0.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -54.52 126.84 25.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.571 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.439 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -154.7 147.27 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.392 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.522 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -154.77 168.3 27.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.39 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 85' ' ' ARG . 9.0 t -95.09 103.61 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.447 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 84' ' ' VAL . 41.3 ttm180 57.56 133.74 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -122.47 123.7 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.331 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -64.66 -40.49 95.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.462 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.72 153.98 26.3 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -92.59 116.01 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 110.481 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 91' ' ' SER . 15.3 t -65.28 -40.94 94.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.486 ' N ' HG23 ' A' ' 90' ' ' THR . 2.8 m 60.51 146.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -148.73 154.56 39.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 52.88 86.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.475 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -94.47 11.51 30.5 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.43 -40.39 96.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.379 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.425 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.97 -43.21 99.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.604 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -70.84 133.1 46.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.359 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 7' ' ' GLU . 18.2 t-20 -138.47 112.71 8.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp 51.95 9.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 5' ' ' ASN . 42.6 tp10 -66.96 -37.93 85.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.294 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -65.57 -34.67 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.323 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -64.48 -36.28 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.467 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.83 59.78 2.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 32.7 tptt -64.09 -34.76 78.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.486 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 37.0 tttt 77.49 -153.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.25 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.3 135.23 54.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -151.95 141.9 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.251 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.87 -110.13 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt 53.36 -168.31 0.06 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.016 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -123.36 114.95 20.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.391 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -82.92 103.86 12.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.996 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.4 t -100.66 139.02 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.385 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -103.74 133.65 48.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.804 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 32.5 m-85 -122.67 134.02 54.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.168 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.82 107.3 18.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -93.59 91.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.2 mt -65.53 -39.73 92.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.52 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.47 44.49 1.43 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 26' ' ' ILE . 9.3 tp -89.73 129.6 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.243 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 t -125.81 129.61 49.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.0 p 40.66 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.678 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -7.25 15.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.173 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -68.54 -15.52 63.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.607 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.3 -5.03 59.21 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -55.45 -57.08 22.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 14.9 Cg_endo -53.9 -37.53 85.53 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.357 2.038 . . . . 0.0 112.235 -178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.8 mp -65.13 -43.55 95.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.65 -44.64 99.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -65.08 -32.38 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -63.56 -39.17 93.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.23 -44.32 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 48' ' ' TYR . 10.4 mp -63.52 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -58.07 -40.96 82.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 t -62.07 -41.23 97.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.5 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.74 146.14 54.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -103.8 148.08 26.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.32 -23.28 34.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.2 m -66.51 132.19 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.463 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -98.76 -55.72 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.89 158.58 43.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.464 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CD2' HD23 ' A' ' 39' ' ' LEU . 9.7 p90 -157.73 162.74 38.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.759 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -145.36 132.39 20.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -100.85 114.48 40.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.187 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -111.32 97.9 6.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.642 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -74.17 -38.99 3.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.534 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 36.0 Cg_exo -56.52 -29.92 80.45 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.731 2.287 . . . . 0.0 112.157 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.5 t -112.35 0.99 15.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 50.46 34.74 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.627 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.4 m -121.19 134.68 55.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.56 131.78 66.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.909 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.5 tt -125.33 130.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.483 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 p -143.99 131.6 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.45 125.84 57.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' ND1' HG23 ' A' ' 66' ' ' ILE . 12.0 p80 -153.68 157.83 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -82.69 117.04 22.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.058 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -52.55 -36.75 56.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.186 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 tp -63.09 -51.7 65.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.999 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.59 -45.01 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.012 0.434 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' ND1' ' A' ' 61' ' ' HIS . 15.9 tt -147.23 138.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.677 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.19 160.67 39.57 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.439 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -64.34 -29.16 63.3 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.849 2.366 . . . . 0.0 111.715 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.05 -43.12 91.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.437 ' OE1' ' CD1' ' A' ' 66' ' ' ILE . 46.9 tt0 -63.6 -42.48 98.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.658 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.29 -44.57 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.22 89.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -63.53 -41.16 98.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.61 83.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.32 -42.52 96.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.747 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.43 -39.13 93.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.716 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 79' ' ' ARG . 66.0 mm-40 -51.68 -34.52 38.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.481 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.07 35.1 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.494 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 77' ' ' GLU . 89.7 mtm180 55.66 21.54 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.782 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.53 -174.32 2.51 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.302 0.573 . . . . 0.0 109.883 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -138.67 117.18 12.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.366 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.95 157.39 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -153.38 160.26 42.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 85' ' ' ARG . 16.3 t -87.58 110.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 84' ' ' VAL . 36.5 ttm180 56.53 155.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.374 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.2 t -123.49 130.86 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.401 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -67.08 117.96 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 171.05 117.88 0.44 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -78.96 -169.07 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.322 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -77.47 168.76 19.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.52 ' OG ' ' CD2' ' A' ' 92' ' ' PHE . 54.3 p -150.3 -149.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.587 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CD2' ' OG ' ' A' ' 91' ' ' SER . 94.5 m-85 54.31 103.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.509 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.14 138.66 38.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.629 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -63.53 -40.76 97.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.1 tttp 57.73 63.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.529 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -63.37 -47.96 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.31 0.576 . . . . 0.0 110.428 -179.174 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 42.69 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.425 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 3' ' ' LEU . 7.3 p30 -161.55 83.52 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -81.82 -9.41 59.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.598 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -55.61 -36.37 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.99 -36.05 81.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.427 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' VAL . 98.7 mttt -75.45 -12.79 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.577 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.83 -35.09 77.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -62.7 -40.19 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' LYS . 72.3 t -99.68 130.56 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -137.42 133.8 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.339 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 16' ' ' LEU . 98.6 mttt -142.26 -99.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.652 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.5 mm? 45.74 -172.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.441 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -127.82 111.37 13.56 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.233 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -79.47 137.66 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.324 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -147.5 144.03 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.275 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -104.84 130.12 53.02 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.125 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -113.42 116.86 30.3 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.401 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -99.0 108.74 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.909 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.05 129.94 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.182 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.27 -1.33 28.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.435 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.65 19.18 38.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 26' ' ' ILE . 17.4 tt -83.54 130.63 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.353 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 6.8 t -113.1 130.8 56.06 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.9 p 40.47 -164.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.636 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 29' ' ' THR . 55.1 m -108.78 -11.79 15.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.462 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.474 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 59.8 p -66.92 -14.47 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -84.12 -5.15 59.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -48.92 -56.7 13.99 Favored Pre-proline 0 C--N 1.322 -0.614 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.026 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 16.7 Cg_endo -54.88 -42.08 72.35 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.618 2.212 . . . . 0.0 111.888 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.5 -43.51 96.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.421 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.85 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.487 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.24 -34.29 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.452 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.62 -38.84 86.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.53 -44.27 99.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.569 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.71 -38.75 75.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.86 147.39 52.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.257 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 43' ' ' ASP . 40.4 p-10 -106.85 111.99 24.76 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.94 -15.89 2.82 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.0 m -78.41 132.03 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.678 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -100.45 -47.43 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.67 157.37 38.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -158.4 160.28 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.943 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 p -146.87 128.36 15.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.08 109.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.229 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.454 HG22 ' H ' ' A' ' 54' ' ' SER . 67.0 mt -108.28 102.04 13.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 120.985 0.422 . . . . 0.0 110.095 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.62 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -74.49 -41.1 4.59 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.305 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 51.6 Cg_exo -53.53 -32.39 63.27 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 51' ' ' ILE . 8.0 t -110.04 1.38 18.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.454 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 48.91 37.43 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.6 m -127.51 134.21 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.29 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.79 131.37 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 pt -124.09 136.37 60.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.96 136.53 26.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.453 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.93 126.24 59.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.432 ' ND1' HG23 ' A' ' 66' ' ' ILE . 21.7 p80 -153.01 162.64 41.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.689 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -81.25 118.71 22.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.176 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.8 t -60.67 -42.64 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.809 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.52 -47.03 85.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.828 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 65' ' ' LEU . 1.9 tt -67.91 -46.26 72.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.412 0.625 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.0 tt -143.34 137.13 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 p -89.96 155.22 47.56 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.85 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.22 -34.58 79.81 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.531 2.154 . . . . 0.0 112.332 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -56.42 -38.09 71.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.625 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -62.66 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.18 -44.4 97.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -66.53 -40.98 89.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.728 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.19 -43.79 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.44 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.56 -45.23 81.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.51 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.07 -41.45 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ALA . 81.0 m-20 -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.761 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -49.68 -24.74 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.593 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.27 31.65 0.45 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.386 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 58.28 27.95 15.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.53 -173.55 2.33 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.067 0.461 . . . . 0.0 109.99 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -135.72 66.9 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.639 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . -89.06 147.27 24.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.539 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -150.04 169.23 21.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' A' ' 85' ' ' ARG . 64.7 t -102.38 104.1 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 84' ' ' VAL . 79.0 ttt-85 57.84 141.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.598 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -100.82 128.83 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.484 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -65.42 -93.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.481 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.47 131.6 10.7 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -83.85 125.51 32.04 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.1 m -114.86 121.38 43.06 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.3 t -83.76 -116.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 40.6 57.71 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.64 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 94' ' ' ASN . 98.6 mttt -63.46 -40.8 98.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' LYS . 12.1 m120 50.73 176.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.448 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 94' ' ' ASN . 30.2 mmtp 47.08 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 26.8 p90 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.465 -179.693 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.58 144.2 41.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.562 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.84 135.6 37.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -140.59 14.26 2.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.62 -32.38 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -48.96 -20.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.17 -37.66 86.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.544 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.06 -25.35 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 60.71 80.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.18 -43.06 99.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 57.62 89.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.378 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 15' ' ' LYS . 14.9 p -127.53 133.84 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -107.4 43.24 1.2 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.346 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 13' ' ' VAL . 68.6 mttm -103.41 71.45 1.1 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.465 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.8 mm? -86.54 134.92 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -108.15 108.18 19.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.31 141.48 35.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.198 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -148.85 157.27 43.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -117.61 127.28 53.8 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.214 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 41.5 m-85 -110.93 115.68 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' OD2' HG12 ' A' ' 86' ' ' VAL . 88.8 m-20 -83.18 116.93 22.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.98 96.51 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.479 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.9 mm? -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.16 45.99 3.11 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 26' ' ' ILE . 8.7 tp -88.44 130.17 38.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.243 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 3.7 t -131.83 131.38 42.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 13.0 p 39.93 -162.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.508 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -8.52 14.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.246 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -63.62 -17.48 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -88.11 4.26 46.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.6 t -59.63 -56.03 39.86 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 21.4 Cg_endo -58.67 -31.18 94.25 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.96 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -65.76 -44.92 92.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.506 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.36 -44.38 97.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.51 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -63.12 -38.9 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.33 -44.49 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.46 -39.17 93.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.27 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -57.52 -39.29 76.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.402 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.7 m -61.68 -33.66 74.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.587 HD22 ' OE1' ' A' ' 70' ' ' GLN . 67.9 mt -72.16 146.26 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -109.18 111.38 22.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.661 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 140.53 -17.11 2.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.8 m -75.58 132.7 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.57 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -95.26 -48.46 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -156.39 157.6 35.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -158.31 159.69 36.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 t -143.36 134.41 25.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.324 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.9 t -101.81 116.34 45.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 54' ' ' SER . 64.5 mt -113.33 98.9 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.008 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.635 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -74.32 -39.67 4.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.451 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 46.4 Cg_exo -55.18 -31.13 74.55 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.542 2.162 . . . . 0.0 112.208 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 51' ' ' ILE . 85.5 p -111.9 2.07 16.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 49.38 36.55 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.2 m -123.58 133.14 54.0 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.45 133.04 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.187 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' ILE . 14.5 tt -125.1 130.6 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.7 132.9 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.638 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 t -105.19 123.43 59.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 66' ' ' ILE . 18.1 p80 -149.62 163.24 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.408 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -85.27 118.43 24.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.02 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.6 p -56.49 -21.14 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.491 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -76.86 -55.05 5.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.2 -43.78 90.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' ND1' ' A' ' 61' ' ' HIS . 20.6 tt -146.02 141.08 21.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.287 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.24 163.01 19.1 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.771 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.09 -36.48 96.34 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.482 2.121 . . . . 0.0 112.263 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -59.15 -39.3 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.634 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.587 ' OE1' HD22 ' A' ' 42' ' ' LEU . 2.0 tm0? -62.69 -43.61 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.95 -44.24 97.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.292 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.27 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.743 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -64.33 -38.24 90.35 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.407 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.81 97.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.609 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.54 -40.39 95.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.34 -24.85 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.567 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -53.26 -31.87 45.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.448 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.45 -0.83 54.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 54.83 48.75 19.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.757 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.8 OUTLIER -113.68 8.39 17.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.413 -179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 59.47 114.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.336 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.31 144.67 29.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.395 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.551 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -151.14 169.44 21.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.355 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 85' ' ' ARG . 11.2 t -94.64 119.26 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.211 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' VAL . 1.4 tmm_? 40.09 95.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.409 HG12 ' OD2' ' A' ' 22' ' ' ASP . 10.0 p -64.53 142.38 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -57.58 114.19 2.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.27 133.68 1.56 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -97.19 67.53 2.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.513 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.1 m -62.06 130.17 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.3 m -154.53 153.69 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -62.83 -41.84 99.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.338 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -100.88 139.05 37.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.39 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.15 142.97 37.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.486 ' O ' ' CG ' ' A' ' 96' ' ' TRP . 74.9 t-105 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.8 tp -109.05 125.44 52.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -102.48 129.71 49.08 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -63.93 -38.19 90.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.11 -40.92 91.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.09 -39.21 93.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.27 -35.09 79.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.53 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 10' ' ' LYS . 43.4 tp10 -65.43 -45.43 83.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 9' ' ' GLU . 86.0 tttt 57.81 119.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.51 -36.56 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.431 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 tptt 59.2 104.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.48 134.58 54.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.423 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -107.11 62.73 0.62 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.79 164.51 30.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.17 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' N ' HD22 ' A' ' 16' ' ' LEU . 4.5 mm? 54.54 175.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.36 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -115.87 110.24 18.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.344 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -78.26 131.31 37.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.097 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -134.75 150.02 50.51 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -114.63 128.84 56.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.173 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.555 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 7.7 m-85 -120.34 118.68 31.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.062 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -78.59 139.57 38.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.221 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 82' ' ' ALA . 2.8 m -122.91 125.88 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.078 0.466 . . . . 0.0 110.255 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -107.7 -19.28 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.462 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.75 17.67 55.67 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 26' ' ' ILE . 10.1 tp -76.41 129.25 37.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.367 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.447 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 1.7 t -127.9 136.45 51.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 29' ' ' THR . 13.6 p 37.24 -143.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.686 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 t -130.56 -4.74 4.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.7 t -62.46 -19.24 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.712 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 54.6 mp0 -85.05 -7.1 59.26 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.388 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.516 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 t -45.99 -57.6 7.84 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 20.0 Cg_endo -56.56 -42.41 65.61 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.36 2.04 . . . . 0.0 112.435 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.04 -43.36 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.502 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.48 -44.95 99.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.49 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.67 -33.24 75.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 0.0 110.626 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -64.29 -38.75 92.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.756 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.67 -44.79 99.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.29 -39.36 93.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.8 -37.96 71.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.385 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.8 t -61.79 -39.97 93.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -69.34 139.53 54.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.547 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -100.54 110.82 23.01 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.536 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.01 -20.81 2.13 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 45' ' ' VAL . 10.4 m -74.5 129.05 36.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.891 0.377 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -94.67 -48.0 6.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -155.06 158.29 38.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.653 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -158.69 158.75 34.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.864 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -144.19 133.42 23.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.272 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.8 t -100.7 115.87 43.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.221 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 54' ' ' SER . 64.4 mt -115.2 101.19 11.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.89 0.376 . . . . 0.0 110.021 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -74.92 -40.45 3.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 179.401 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 52.0 Cg_exo -53.41 -36.1 78.01 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.488 2.125 . . . . 0.0 112.32 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.476 ' H ' HG22 ' A' ' 51' ' ' ILE . 10.6 t -111.21 17.25 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.759 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . 15.0 ptp180 33.83 41.9 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.35 0.406 . . . . 0.0 111.105 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.9 m -126.25 132.42 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.273 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.5 t -120.03 129.67 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.699 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -123.87 142.84 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.142 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -149.48 138.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.288 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.9 t -106.26 127.48 61.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.434 ' C ' HD12 ' A' ' 16' ' ' LEU . 12.6 p80 -154.94 162.4 41.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.494 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -85.6 118.24 24.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.13 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 t -59.36 -41.9 90.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.55 -49.18 77.7 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.3 tt -66.65 -46.76 74.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.0 110.551 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.12 135.51 28.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.246 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.8 155.34 70.67 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.59 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.39 -27.54 71.12 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.855 2.37 . . . . 0.0 111.79 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -62.96 -37.06 85.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.743 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.92 -40.87 96.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.45 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.56 -44.27 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.541 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.55 -43.69 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.55 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.01 -40.1 96.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.43 80.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.04 -39.23 90.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -62.46 -38.72 90.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.661 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -49.48 -33.48 14.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -82.7 42.07 0.76 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.437 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' ALA . 35.9 ptt180 41.68 23.6 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.638 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' ALA . 4.4 tp -88.68 -138.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' H ' ' CG ' ' A' ' 80' ' ' LEU . 40.4 tp10 -174.27 101.25 0.1 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 23' ' ' VAL . . . -141.25 150.36 42.53 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.443 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.477 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -154.44 157.94 39.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.552 179.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.6 t -70.58 146.12 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.398 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -39.51 155.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.673 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.59 148.46 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.486 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -64.85 -39.45 93.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.69 14.76 60.81 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -57.16 139.46 52.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.799 0.333 . . . . 0.0 110.439 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.4 p -102.84 -3.91 25.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.7 p -70.93 147.03 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -73.76 -25.88 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 tttp 55.95 100.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.456 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 95' ' ' LYS . 17.4 m120 -79.52 137.1 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 94' ' ' ASN . 16.6 mmmt 43.32 -168.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.775 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.408 ' OXT' ' CG ' ' A' ' 96' ' ' TRP . 77.1 t-105 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.468 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 3' ' ' LEU . 9.5 mp 53.48 169.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -90.33 66.57 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 7' ' ' GLU . 97.9 m-20 -99.17 10.9 40.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.345 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 56.17 8.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 5' ' ' ASN . 95.2 mt-10 -74.9 -20.46 59.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -68.97 -17.35 63.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.492 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.4 -47.42 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -102.08 101.98 12.41 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.999 0.428 . . . . 0.0 110.426 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -65.42 -42.44 92.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.03 134.53 49.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.501 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -83.82 142.45 13.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.84 137.18 53.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.271 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 16' ' ' LEU . 64.1 mttp -70.39 -145.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 16' ' ' LEU . 10.3 mp 54.97 111.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.336 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -111.77 117.75 33.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.977 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -78.73 137.82 37.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.205 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -149.77 152.61 35.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.226 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -111.82 128.69 56.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.302 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.78 106.77 15.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.151 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.94 117.39 24.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.39 131.25 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 120.96 0.409 . . . . 0.0 110.279 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.1 mt -105.04 -20.55 13.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.46 31.13 2.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.7 tt -84.86 124.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.827 0.346 . . . . 0.0 110.431 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 28' ' ' CYS . 9.4 t -94.66 134.22 37.47 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 27' ' ' CYS . 14.3 p 34.69 -151.66 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.089 0.243 . . . . 0.0 111.251 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 47.6 p -130.43 -0.65 4.47 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.884 0.374 . . . . 0.0 110.462 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -76.32 -6.26 50.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.14 0.97 42.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.421 -179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 t -41.75 -57.7 3.78 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 22.3 Cg_endo -57.2 -39.25 91.83 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.978 1.785 . . . . 0.0 112.132 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.39 -43.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.24 -44.47 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.283 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.39 -32.8 73.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.893 0.378 . . . . 0.0 110.524 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -63.43 -39.25 93.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.971 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.61 -46.38 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.496 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.2 mp -65.09 -38.9 92.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.346 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.35 -39.73 76.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.216 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -61.84 -40.97 97.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.615 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.92 144.31 56.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -99.66 149.15 23.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.409 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.03 -21.94 43.38 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 45' ' ' VAL . 16.5 m -68.09 131.78 33.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.962 0.41 . . . . 0.0 110.281 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -97.36 -50.71 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -156.8 161.09 39.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -158.46 159.69 35.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -143.64 136.63 27.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.261 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.3 t -102.95 111.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.957 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' OG ' ' A' ' 54' ' ' SER . 55.1 mt -99.9 109.53 24.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.993 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -75.35 -43.37 4.32 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.359 178.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 49.1 Cg_endo -68.37 -16.2 43.19 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.839 1.692 . . . . 0.0 112.894 -177.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.448 ' OG ' ' CG2' ' A' ' 51' ' ' ILE . 24.4 p -117.53 2.25 12.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.857 0.36 . . . . 0.0 110.447 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 42.87 23.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.727 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' SER . 58.4 m -110.82 134.68 52.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.139 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.5 t -109.68 130.14 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.777 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 58' ' ' ILE . 15.4 tt -119.76 131.61 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.377 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.27 134.01 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.384 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -103.64 120.31 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.757 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' HG23 ' A' ' 66' ' ' ILE . 21.4 p80 -149.96 154.2 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.506 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -81.63 125.94 31.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -58.43 -40.01 81.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.481 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.44 -52.48 65.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.89 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.17 -43.77 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.747 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG23 ' ND1' ' A' ' 61' ' ' HIS . 19.2 tt -149.88 133.23 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.36 161.94 35.75 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.1 -34.84 93.95 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.338 2.025 . . . . 0.0 112.297 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -57.03 -40.48 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -60.57 -44.77 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.36 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.41 -43.86 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.02 -42.37 99.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.678 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.2 -39.83 94.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.725 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.83 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.834 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.21 -39.07 93.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.55 ' ND2' ' H ' ' A' ' 82' ' ' ALA . 3.2 m120 -59.83 -38.48 82.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.341 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -56.95 -33.85 67.44 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.97 33.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.12 18.64 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 mp -106.34 98.17 7.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.132 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.58 90.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.55 ' H ' ' ND2' ' A' ' 76' ' ' ASN . . . -99.63 133.14 44.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.274 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -131.86 140.17 49.03 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.0 t -80.88 110.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.427 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 39.39 88.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.795 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.87 137.24 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.637 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -68.89 124.79 24.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.37 -17.06 65.22 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 90' ' ' THR . 95.7 mt-10 -60.83 -58.27 9.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.643 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 91' ' ' SER . 86.8 m 53.36 164.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.651 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.602 ' N ' HG22 ' A' ' 90' ' ' THR . 64.8 p -151.83 122.75 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.384 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.476 ' CG ' ' N ' ' A' ' 93' ' ' LYS . 89.0 t80 -158.92 161.16 36.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 92' ' ' PHE . 10.0 mtpm? -136.46 139.92 42.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.372 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -103.6 144.8 30.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.464 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -74.5 140.91 44.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.535 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.485 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.6 mt -100.0 127.55 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.319 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.61 143.45 57.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -83.86 106.42 15.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -80.43 -10.54 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.81 -32.65 73.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.438 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.81 -44.63 86.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.42 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 9' ' ' GLU . 58.7 mp0 -69.6 -35.64 75.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 9' ' ' GLU . 36.8 ttmt 56.39 113.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.546 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -67.0 -32.46 73.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.729 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -67.95 131.13 44.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.307 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 15' ' ' LYS . 89.0 t -106.44 118.93 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tptp 40.49 -90.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.688 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 13' ' ' VAL . 28.3 ttpt -150.36 28.72 0.72 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.659 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.576 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.7 mm? -81.15 141.55 34.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -112.79 110.12 20.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.279 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -78.88 132.14 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -133.53 141.76 47.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.208 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -105.51 128.75 53.75 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.188 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 21' ' ' PHE . 26.2 m-85 -109.97 131.64 54.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.213 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -97.09 112.34 24.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.218 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 23' ' ' VAL . 4.2 p -114.85 122.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.1 mt -105.73 -7.04 18.63 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.546 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.65 18.98 47.46 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 26' ' ' ILE . 7.9 tp -88.95 129.39 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.517 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 24.2 p -132.46 159.9 38.01 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 45.4 -164.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.43 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -3.31 5.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.663 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -75.33 -8.96 58.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.748 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.571 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 56.9 mp0 -87.65 -6.02 58.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.615 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 2.5 t -51.45 -55.29 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.215 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 32' ' ' VAL . 19.0 Cg_endo -58.21 -38.67 90.12 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.561 2.174 . . . . 0.0 112.0 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.17 -42.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.266 -179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.82 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.369 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.95 -33.58 75.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.887 0.375 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -65.39 -38.81 91.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.586 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.05 -44.59 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.79 -39.12 93.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.75 -40.45 79.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.229 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 m -60.55 -34.01 73.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.1 mt -73.7 147.03 43.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -100.99 141.63 33.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.23 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.08 -17.75 40.67 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 45' ' ' VAL . 14.1 m -69.5 131.15 34.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.666 0.27 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -102.5 -50.76 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.62 156.86 38.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.44 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -160.53 161.08 32.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.808 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 t -148.67 138.05 21.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.69 119.06 58.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.6 mt -109.21 113.53 44.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-O 121.236 0.541 . . . . 0.0 109.768 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.672 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -75.09 -45.81 4.74 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.07 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 52' ' ' VAL . 42.7 Cg_endo -68.71 -12.18 33.92 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 122.504 2.136 . . . . 0.0 112.433 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.6 m -121.84 8.62 9.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' SER . 34.2 ptt180 32.04 35.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' SER . 91.4 m -122.48 132.88 54.55 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.263 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.56 133.66 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.216 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 pp -126.76 141.03 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.356 0.598 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.4 p -149.58 136.62 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.633 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.58 128.56 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -152.77 162.16 41.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.665 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -80.08 115.47 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -57.9 -36.96 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.534 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.13 -51.1 61.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.751 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.2 tt -64.94 -46.62 80.85 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 110.416 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.9 tt -143.42 140.05 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.08 160.8 36.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.559 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.78 -25.35 60.88 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.701 2.267 . . . . 0.0 111.953 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -61.68 -38.63 88.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.476 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -64.62 -41.44 96.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.76 -44.0 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.352 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -63.74 -42.12 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.416 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.65 -39.25 93.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.0 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.449 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.9 -40.32 91.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 61.1 m-80 -61.62 -38.91 89.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.496 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -51.61 -40.87 60.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.746 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.23 33.3 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.525 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 54.9 16.65 1.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.685 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.18 93.14 4.67 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.455 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -62.98 125.66 24.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.73 141.84 23.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.19 146.83 51.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.17 146.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -38.88 138.1 0.58 Allowed 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 86' ' ' VAL . 22.2 m -106.89 129.01 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.979 0.418 . . . . 0.0 110.358 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -90.37 8.09 35.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.05 155.1 31.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -170.51 129.46 0.84 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.322 . . . . 0.0 110.604 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' SER . 97.9 m -61.65 -44.93 96.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' THR . 2.0 t 42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.67 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -156.32 -30.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.464 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 63.0 tttp -68.93 128.94 38.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.471 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 93' ' ' LYS . 31.4 m120 -151.92 147.93 27.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.657 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -77.24 132.66 38.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.534 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.621 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.32 128.61 34.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 43.52 64.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.602 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.485 ' CG ' ' H ' ' A' ' 6' ' ' LYS . 15.5 p30 -89.49 -106.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.485 ' H ' ' CG ' ' A' ' 5' ' ' ASN . 29.7 ttmt 70.2 -42.71 0.52 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 5' ' ' ASN . 98.5 mt-10 -68.07 -34.52 76.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.505 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.86 -20.11 47.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.438 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -55.44 -14.15 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -61.98 -30.05 70.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.595 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.14 -42.41 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.42 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -67.18 133.34 49.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.269 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p -139.7 135.55 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.151 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -66.52 -44.67 81.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 16' ' ' LEU . 9.5 ptpp? -81.69 175.67 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.454 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD12 HG12 ' A' ' 60' ' ' VAL . 4.4 mm? 58.2 142.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.138 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -118.3 113.71 21.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.011 0.434 . . . . 0.0 110.457 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -78.67 140.67 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.766 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 t -140.27 144.8 36.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.221 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.06 126.81 47.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.242 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 37.6 m-85 -117.87 122.13 42.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.693 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -90.8 111.18 22.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 t -99.77 88.9 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 ' N ' HD22 ' A' ' 24' ' ' LEU . 4.0 mm? -65.61 -40.96 93.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.542 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.72 33.35 0.6 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' A' ' 24' ' ' LEU . 17.3 tt -89.56 128.61 41.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.898 0.38 . . . . 0.0 110.228 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.522 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 8.1 t -120.1 129.01 53.99 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.126 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 27' ' ' CYS . 14.8 p 41.04 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 29' ' ' THR . 85.1 m -104.69 -12.47 16.35 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.365 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -67.18 -11.83 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.762 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -89.98 8.01 34.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.215 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.565 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 3.5 t -60.99 -41.59 82.37 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 32' ' ' VAL . 34.3 Cg_exo -59.68 -38.79 79.14 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.593 2.196 . . . . 0.0 112.028 -179.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.606 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -65.17 -44.99 95.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.367 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.34 -43.97 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.445 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.84 -31.73 72.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.01 -40.64 96.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.768 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.44 -46.16 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.88 -40.15 96.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.196 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.16 -39.94 80.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.277 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.9 m -61.24 -36.16 79.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.21 141.96 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -102.65 107.54 18.49 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.03 -13.6 1.69 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 45' ' ' VAL . 12.4 m -77.99 128.13 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.81 -47.03 6.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.581 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -156.88 156.63 33.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.776 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -156.91 159.62 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.7 t -143.34 136.9 28.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.11 116.62 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.24 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 ' H ' ' A' ' 54' ' ' SER . 40.0 mt -107.14 100.14 10.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.522 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 m -76.0 -36.33 1.89 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.852 178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 52' ' ' VAL . 60.4 Cg_endo -72.8 -13.5 26.78 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.11 1.206 . . . . 0.0 112.771 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.417 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.4 m -121.0 0.39 10.22 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.736 0.303 . . . . 0.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 49.02 39.37 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.641 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -130.21 141.17 50.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.26 131.72 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -120.89 130.28 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.347 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.17 134.33 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG12 HD12 ' A' ' 16' ' ' LEU . 3.5 t -105.88 126.52 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.565 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' ND1' HG23 ' A' ' 66' ' ' ILE . 16.8 p80 -154.22 152.79 30.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.516 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.01 119.91 14.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.191 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -60.51 -43.03 97.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.512 ' N ' HD22 ' A' ' 64' ' ' LEU . 4.0 mm? -62.89 -47.18 84.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.967 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 65' ' ' LEU . 2.9 tt -67.3 -46.41 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.224 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' ND1' ' A' ' 61' ' ' HIS . 17.1 tt -144.56 139.53 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.502 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.41 161.28 33.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.02 -24.55 52.52 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.62 2.213 . . . . 0.0 111.688 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -62.81 -37.49 86.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -66.92 -38.58 86.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -44.49 98.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' ' ND2' ' A' ' 76' ' ' ASN . . . -65.85 -40.04 91.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.63 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -63.67 -41.1 98.23 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.497 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.6 97.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.409 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.79 -38.7 89.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.745 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 72' ' ' ALA . 63.7 m-20 -60.6 -39.73 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.416 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.27 -28.76 65.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.29 42.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.569 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 71.25 29.02 2.9 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 81' ' ' GLU . 9.4 mp -99.63 0.43 42.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.317 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 80' ' ' LEU . 44.7 tp10 44.65 97.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.857 0.361 . . . . 0.0 110.457 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.39 148.69 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.582 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.533 HD22 ' C ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -152.89 167.29 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -86.78 148.58 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -43.23 141.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 86' ' ' VAL . 34.4 m -81.26 128.71 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.494 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -110.8 -61.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.34 179.93 39.99 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 90' ' ' THR . 97.4 mt-10 -66.93 -39.7 87.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.343 . . . . 0.0 110.564 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 89' ' ' GLU . 7.6 m 48.32 99.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.682 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 m -69.57 147.79 50.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -104.89 145.16 30.79 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -87.06 139.53 30.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.58 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -86.08 165.41 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 57.23 54.99 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 88.1 t90 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.57 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_