data_2kso_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 2kso _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 ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.952 0.406 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG11 HD13 ' A' ' 19' ' ' LEU . 2.2 t -48.92 -35.15 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.926 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.68 83.76 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.603 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.47 -38.8 88.6 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.3 0.375 . . . . 0.0 111.227 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.639 ' O ' HG12 ' A' ' 22' ' ' ILE . 15.4 t90 -67.64 -54.3 20.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 0.0 109.943 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.498 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 13.1 mt -58.65 -32.56 69.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.269 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -33.43 24.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -67.21 -33.33 75.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 18' ' ' TRP . 25.9 pt -89.46 8.91 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.272 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HZ3' ' CG ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER 64.09 29.13 14.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.179 178.552 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.54 ' HE2' ' CD2' ' A' ' 60' ' ' HIS . 38.5 mmt -103.09 21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -33.25 -58.4 0.39 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.241 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -59.12 -12.39 4.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.602 ' CE1' HG23 ' A' ' 55' ' ' VAL . 11.3 m-85 -82.83 -33.17 27.22 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.395 -0.816 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.493 ' HA ' HD12 ' A' ' 19' ' ' LEU . 2.2 m -40.86 -38.79 1.0 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.32 0.581 . . . . 0.0 112.357 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.82 -52.64 64.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.018 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -72.27 -36.29 68.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.269 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.37 -62.72 1.52 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.773 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.7 mtt -57.06 -33.86 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.792 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.8 66.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.83 15.15 7.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.004 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.3 -12.46 62.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.837 -0.697 . . . . 0.0 114.416 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -88.48 60.0 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.784 0.792 . . . . 0.0 110.55 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -25.33 36.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.228 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.8 144.86 46.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -43.44 -50.96 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.025 -0.988 . . . . 0.0 113.633 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -51.68 -32.12 28.5 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -87.74 -32.01 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.496 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.85 -36.58 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.6 -9.53 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.326 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 74.7 mt-30 -81.53 -58.17 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.5 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.494 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -46.56 116.1 1.21 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -70.42 -152.57 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.956 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -77.16 -38.01 52.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.76 -55.84 22.73 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.494 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 4.0 m-20 -50.72 -43.36 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.674 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.987 HD13 HD13 ' A' ' 68' ' ' LEU . 95.6 mt -51.66 -51.38 27.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 121.809 0.814 . . . . 0.0 110.996 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -68.6 -31.77 71.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.876 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.81 -54.33 9.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.0 pt -43.98 -27.61 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.35 39.38 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 119.919 -1.134 . . . . 0.0 113.401 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.602 HG23 ' CE1' ' A' ' 27' ' ' TYR . 67.4 t -120.26 102.5 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.48 -12.96 15.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.695 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' CG ' ' B' ' 47' ' ' HIS . 50.5 mt -78.29 125.95 84.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.07 -40.24 72.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.439 2.092 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.35 -42.89 99.69 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.797 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.54 ' CD2' ' HE2' ' A' ' 24' ' ' MET . 52.2 m170 -71.34 -19.4 62.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.902 0.851 . . . . 0.0 109.564 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' HG3' HG12 ' A' ' 55' ' ' VAL . 24.7 mt-30 -75.81 -5.06 44.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.186 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -112.13 -41.14 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.203 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -56.58 -40.35 75.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.437 178.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -80.74 -49.01 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.591 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.3 -51.51 69.07 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -54.99 -54.18 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.172 0.51 . . . . 0.0 110.511 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.477 ' CB ' ' HE1' ' A' ' 18' ' ' TRP . 11.9 m -61.38 -37.91 85.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.326 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.987 HD13 HD13 ' A' ' 50' ' ' ILE . 11.7 mt -59.65 -41.03 89.63 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.435 0.159 . . . . 0.0 110.694 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 76.2 mt -56.29 -42.19 77.14 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.75 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.26 -47.41 85.15 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.391 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.59 -43.85 93.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -61.66 -36.45 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.1 -36.92 39.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.713 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -58.97 -44.22 91.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.248 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.2 p -71.88 -17.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.726 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.83 -19.16 29.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.435 179.684 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 111.851 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -66.99 -59.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.266 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.24 -23.24 61.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.146 0.498 . . . . 0.0 110.431 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.748 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.45 -21.65 64.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.132 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.09 -47.24 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.665 0.269 . . . . 0.0 111.211 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.6 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.6 HD13 ' OG1' ' B' ' 81' ' ' THR . 11.7 pt -95.63 -12.81 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 37.37 8.51 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mp -123.06 4.9 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' B' ' 40' ' ' ARG . 10.3 pm0 -43.89 -38.95 3.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.673 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' B' ' 39' ' ' GLU . 46.7 mtm180 -65.62 -7.7 16.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -96.5 -35.45 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 118.706 -0.664 . . . . 0.0 111.625 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -12.53 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.543 1.152 . . . . 0.0 113.436 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -31.16 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.01 -35.66 64.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.375 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 mp -91.23 16.1 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 74.2 t -101.69 -36.92 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.454 ' CG ' HD21 ' A' ' 57' ' ' LEU . 19.0 m170 -72.05 -1.64 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.213 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -116.15 -7.38 11.86 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.77 10.42 57.76 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.675 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -98.35 22.91 9.04 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.218 -0.578 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' B' ' 46' ' ' VAL . 9.7 p-10 -85.32 26.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.401 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -142.97 129.47 20.13 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.204 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.0 20.48 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' B' ' 52' ' ' ASP . 23.6 mm-40 -90.18 -40.36 12.25 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.335 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.7 -12.96 7.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.458 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.82 -23.66 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.401 0.62 . . . . 0.0 109.846 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.61 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -128.85 29.72 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 109.936 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 tt -71.07 151.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.592 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -105.37 168.35 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.102 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.29 -45.66 46.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.291 0.567 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.89 16.46 0.53 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.62 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -103.26 -55.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -46.23 -32.8 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.11 -28.67 70.23 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.26 4.91 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.263 0.554 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.0 -13.01 57.59 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.33 64.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.137 0.494 . . . . 0.0 109.878 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -90.24 -28.2 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.181 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.86 136.94 87.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.964 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.7 -46.36 30.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.663 2.908 . . . . 0.0 113.713 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.89 96.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 111.228 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -66.43 -43.69 84.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.133 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -62.63 -46.59 87.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.049 0.452 . . . . 0.0 109.928 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -61.73 -35.53 78.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.859 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -46.74 80.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.97 -37.19 86.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.93 -30.58 71.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 110.061 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.98 -39.33 79.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.727 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.6 ' OG1' HD13 ' B' ' 36' ' ' ILE . 1.3 m -64.83 -26.83 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.693 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.45 -26.91 68.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -107.07 -25.1 11.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 tp . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 120.994 0.426 . . . . 0.0 110.315 179.492 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.799 0.333 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 37' ' ' THR . 91.7 t -62.86 -35.52 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.238 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 28.8 mt-10 -63.59 -33.77 76.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.638 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -71.72 -43.86 65.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.39 -32.19 69.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.03 -30.32 66.49 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.011 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -55.95 -42.23 75.88 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.189 0.306 . . . . 0.0 111.187 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -2.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 23' ' ' LYS . 24.5 mmtp 64.08 26.95 14.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.803 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mmt -108.95 32.61 4.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -62.45 -21.46 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.392 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -78.06 15.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.696 -0.627 . . . . 0.0 111.689 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -119.18 3.14 11.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.603 0.24 . . . . 0.0 110.885 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 32' ' ' MET . 5.4 m -62.18 -31.09 71.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.23 0.538 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.61 -45.39 89.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.397 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -71.04 -38.41 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.19 -48.15 76.94 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.344 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.456 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 36.1 mmt -64.55 -34.72 78.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.4 71.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.283 . . . . 0.0 111.47 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -9.17 49.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.406 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.58 2.79 58.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.59 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -95.86 69.99 2.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.637 0.732 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.1 p -77.74 -68.65 0.6 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.862 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' H ' ' HD3' ' A' ' 41' ' ' LYS . . . -85.75 169.21 13.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 112.169 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.3 mm -50.7 -48.28 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.312 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.9 mp0 -53.7 -39.48 65.23 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.802 0.334 . . . . 0.0 111.808 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' ' 38' ' ' ALA . 2.9 mptp? -74.34 -33.89 63.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.4 . . . . 0.0 110.664 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 45' ' ' MET . 99.4 t -68.53 -41.49 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.5 m -77.03 -7.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.32 -22.03 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.695 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 13.7 ptp -65.87 179.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.355 0.598 . . . . 0.0 111.405 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -136.25 178.03 7.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.611 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -56.53 -44.17 80.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.564 0.221 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.08 -37.94 75.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 53' ' ' ILE . 4.3 m-20 -60.33 -41.71 94.11 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.695 ' CD1' ' SD ' ' A' ' 45' ' ' MET . 47.8 mm -60.74 -25.99 36.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.295 0.569 . . . . 0.0 110.993 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -91.02 -15.41 29.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -99.14 -23.42 15.25 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.523 0.202 . . . . 0.0 111.449 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 49' ' ' ASP . 36.8 pt -72.32 9.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.815 0.341 . . . . 0.0 111.918 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.74 0.41 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.702 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 60' ' ' HIS . 38.6 t -39.03 108.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -108.63 -8.06 15.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.109 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.549 HD11 ' O ' ' B' ' 47' ' ' HIS . 25.4 mt -79.36 128.25 76.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.11 -47.93 18.18 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 113.243 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.78 -39.62 98.19 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.713 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.406 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -66.36 -32.3 73.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.493 0.664 . . . . 0.0 109.373 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.589 ' HG2' HG21 ' A' ' 50' ' ' ILE . 34.2 mt-30 -72.0 -58.43 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.061 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -38.8 -47.53 1.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.398 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -55.37 35.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.272 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 50' ' ' ILE . 72.7 mt -56.6 -44.35 80.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.609 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.71 -51.04 71.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -67.53 -26.94 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.786 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.663 HD11 HD13 ' A' ' 50' ' ' ILE . 11.5 mt -65.77 -34.05 77.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.2 -41.39 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.66 -41.61 97.66 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.859 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.31 -43.78 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.696 0.284 . . . . 0.0 111.451 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 75' ' ' VAL . 85.4 mttt -68.25 -40.8 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.432 . . . . 0.0 110.112 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -58.75 -45.21 90.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.623 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.2 p -71.27 -10.38 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -100.49 -6.93 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.956 0.407 . . . . 0.0 110.337 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.83 179.288 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -53.28 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 -36.22 61.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.738 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.53 -51.03 60.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.517 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -83.56 31.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.612 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -111.28 2.29 17.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.51 -15.59 28.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.104 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.31 15.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.86 52.96 24.01 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.287 -0.869 . . . . 0.0 113.368 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.88 16.26 10.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.051 0.425 . . . . 0.0 111.115 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -57.44 -20.21 28.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.725 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.12 -14.03 62.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.982 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -98.21 -17.87 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -41.56 -65.73 0.41 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -42.56 -39.27 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.41 -39.42 87.36 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.13 -55.92 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 64.0 t -46.1 -49.23 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.549 ' O ' HD11 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.09 -47.12 68.79 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 120.615 0.245 . . . . 0.0 111.309 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.609 ' ND2' ' HA ' ' B' ' 67' ' ' ALA . 23.3 m-80 -62.0 -80.73 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.93 46.33 0.21 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.896 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -135.47 63.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.03 0.443 . . . . 0.0 110.343 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.91 -4.9 39.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.205 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -128.89 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.436 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.31 -18.71 29.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.93 -20.95 60.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -101.24 -15.7 17.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.15 -20.03 66.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -10.66 60.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.72 22.14 16.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.152 0.501 . . . . 0.0 110.195 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 tt -79.61 152.23 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 79.7 p -121.97 172.8 7.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.95 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.68 -32.47 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.33 -47.76 69.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.59 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -53.29 -49.0 67.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.246 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.7 mt -54.29 -54.39 40.91 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.03 -48.62 11.66 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.385 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.12 -25.21 66.88 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . 0.609 ' HA ' ' ND2' ' B' ' 48' ' ' ASN . . . -84.42 -6.93 59.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.72 -15.7 21.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.578 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 13.9 t -86.47 81.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.135 0.493 . . . . 0.0 110.009 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.44 -16.85 20.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.7 126.89 93.19 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.06 -49.87 15.6 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.31 2.673 . . . . 0.0 113.261 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.38 77.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.474 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -60.88 -41.88 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -62.95 -54.41 38.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.051 0.453 . . . . 0.0 110.035 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -55.28 -45.33 76.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.881 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.82 -48.89 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.5 -44.19 96.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.647 0.26 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.04 -44.71 79.08 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.06 -42.67 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.455 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.95 -31.05 71.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.017 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.49 -45.58 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.82 -47.68 68.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.081 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.782 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.25 -38.76 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.814 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.48 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.601 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 54.1 mt-10 -61.67 -32.16 72.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.468 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -74.09 -37.89 64.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -80.05 -31.86 39.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.083 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 12.6 pt-20 -75.34 -37.23 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.01 -0.431 . . . . 0.0 111.878 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -56.45 -37.95 70.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.675 HG23 ' OG ' ' A' ' 67' ' ' SER . 12.4 pt -92.66 -0.36 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp 66.56 44.99 2.16 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.353 0.597 . . . . 0.0 112.133 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mmt -127.71 26.81 5.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.77 -17.91 63.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.662 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -85.16 -3.95 58.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 118.997 0.817 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.91 -4.68 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.101 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -54.24 -43.3 70.77 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.713 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -55.52 -44.54 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.533 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -44.57 81.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 110.408 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -56.49 -51.06 69.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.665 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.9 mtt -66.46 -31.18 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.127 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.09 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.092 0.473 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.4 -15.48 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.876 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.8 -5.7 14.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.304 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -89.97 71.75 7.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.085 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.13 0.92 56.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.023 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -151.12 157.89 43.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.07 -41.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 mp0 -57.45 -34.34 68.89 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.768 0.318 . . . . 0.0 111.096 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -80.3 -35.32 35.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.918 0.39 . . . . 0.0 110.047 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.3 t -60.61 -41.03 86.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.76 -9.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -84.35 -24.2 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.077 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 13.7 ptp -63.77 176.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.14 0.495 . . . . 0.0 111.299 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -129.15 169.16 15.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.74 -47.59 79.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.805 0.336 . . . . 0.0 111.515 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.83 -30.79 71.76 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.83 -29.24 68.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.634 0.254 . . . . 0.0 111.422 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 1.03 HD13 ' CD1' ' A' ' 68' ' ' LEU . 92.6 mt -61.75 -28.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.828 0.823 . . . . 0.0 110.966 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -89.88 -7.87 53.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.283 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -91.97 -38.33 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -73.92 23.1 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.82 -88.92 0.44 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.378 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -11.52 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.67 1.588 . . . . 0.0 114.798 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -92.29 -17.04 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.677 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.1 mt -76.95 123.7 87.41 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.347 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.32 -41.39 73.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.395 2.73 . . . . 0.0 113.549 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.69 -33.04 70.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.894 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -67.4 -32.93 74.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.59 -62.42 1.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.563 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' HZ1' ' CG ' ' B' ' 63' ' ' ASP . 0.0 OUTLIER -36.75 -50.89 0.86 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.198 177.487 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.409 HH22 ' C ' ' B' ' 49' ' ' GLY . 37.0 ttm180 -58.76 -52.72 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.099 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.8 mt -57.7 -44.43 85.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.233 0.333 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.48 87.79 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.319 0.581 . . . . 0.0 110.616 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.92 -44.7 96.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.739 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.675 ' OG ' HG23 ' A' ' 22' ' ' ILE . 3.7 m -67.18 -27.98 67.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.651 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 1.03 ' CD1' HD13 ' A' ' 50' ' ' ILE . 16.0 mt -69.72 -40.08 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.126 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.89 -36.79 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.37 86.46 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.914 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.32 -42.05 94.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.563 0.221 . . . . 0.0 111.478 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -64.9 -39.88 94.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.51 -41.66 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.26 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -65.71 -29.89 70.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.582 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.91 -12.21 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.678 . . . . 0.0 109.757 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -92.28 -8.96 43.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.955 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.093 179.702 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' B' ' 34' ' ' ARG . 0.7 OUTLIER -59.3 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.21 -27.83 69.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.208 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -73.0 -41.37 64.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.752 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' B' ' 42' ' ' GLU . 38.0 mt -74.7 -21.92 59.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.643 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.505 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -57.96 -19.97 34.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -38.94 75.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 pt -119.54 21.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.81 45.94 31.53 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.513 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.37 16.61 13.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.83 0.315 . . . . 0.0 111.254 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.505 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 6.8 pm0 -51.1 -28.02 9.64 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 -61.84 -19.15 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.724 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.87 -24.09 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.41 ' HB2' HD11 ' B' ' 33' ' ' LEU . 53.5 tt0 -51.26 -35.16 35.94 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.88 0.371 . . . . 0.0 111.262 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.24 -50.53 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.375 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -28.15 65.06 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.684 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.21 -53.55 29.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.773 0.286 . . . . 0.0 110.45 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 42' ' ' GLU . 84.3 t -46.0 -38.3 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -17.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 111.48 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.498 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 4.9 m-20 -110.82 9.58 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.409 ' C ' HH22 ' A' ' 63' ' ' ARG . . . 74.4 19.0 79.95 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.755 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -92.28 39.85 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -98.64 6.56 46.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.333 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -108.72 120.27 41.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.175 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.48 -26.78 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.868 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.89 -52.02 65.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.16 -25.54 47.32 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -65.94 -20.4 66.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 110.297 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -66.64 -14.77 62.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.112 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -128.89 38.21 3.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.339 0.59 . . . . 0.0 110.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.6 tt -84.51 141.21 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.466 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -94.93 164.12 13.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.79 -36.99 86.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.948 0.404 . . . . 0.0 110.333 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.78 -49.9 75.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.442 ' CG ' ' HZ1' ' A' ' 62' ' ' LYS . 1.3 t70 -58.32 -41.4 84.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.45 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 33.6 mt -54.24 -58.0 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.601 0.238 . . . . 0.0 110.747 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -45.6 -40.47 8.91 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.833 178.25 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.517 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 3.5 tm-20 -64.48 -28.65 69.81 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.355 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.81 2.06 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.415 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 -3.96 31.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.997 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.7 t -84.34 61.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.443 0.64 . . . . 0.0 110.053 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.52 46.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.416 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.05 131.02 19.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.8 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.59 -55.77 3.03 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.221 2.614 . . . . 0.0 113.239 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.4 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.676 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -57.25 -47.69 80.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -63.92 -46.43 84.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.39 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -58.22 -52.4 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.215 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.18 -42.47 98.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.964 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.44 -45.05 92.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.209 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.08 -39.38 81.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.77 -36.15 75.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -66.02 -34.13 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.654 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -83.07 -49.71 9.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 tp . . . . . 0 C--O 1.233 0.234 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 t -53.7 -44.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.025 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.208 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.51 -37.7 85.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.334 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.426 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.5 t90 -66.04 -41.36 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.5 -20.58 62.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.787 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -81.17 -47.49 13.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.602 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -19.4 15.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 18' ' ' TRP . 2.7 pt -113.3 3.64 8.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 111.452 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 15.7 mmtp 57.25 46.56 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.189 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.36 25.87 9.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.72 -9.99 58.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.018 -1.447 . . . . 0.0 111.572 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -83.81 8.21 15.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 109.795 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -119.54 5.24 11.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.624 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -60.82 -38.92 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.557 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 47.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.729 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -150.94 -51.79 0.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.44 -40.12 77.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.751 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.457 ' SD ' HG23 ' A' ' 37' ' ' THR . 26.0 mmt -62.21 -40.93 97.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.697 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.13 -30.53 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.743 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.84 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.26 -5.43 52.46 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.098 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -89.38 78.96 7.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.196 0.522 . . . . 0.0 109.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.457 HG23 ' SD ' ' A' ' 32' ' ' MET . 3.1 p -103.32 2.97 34.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.505 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.45 149.49 34.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.227 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.62 -39.98 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 112.254 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -38.83 71.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.566 0.222 . . . . 0.0 111.42 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -79.04 -36.12 41.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.38 . . . . 0.0 110.397 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -58.33 -42.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.289 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.34 -9.0 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.703 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -84.13 -25.81 29.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.281 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 16.8 ptp -64.09 177.87 0.74 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.568 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 174.6 10.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -54.98 -46.65 75.13 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.86 -31.54 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -34.35 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.946 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.452 HD13 ' CD1' ' A' ' 68' ' ' LEU . 92.7 mt -58.48 -33.27 47.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.747 0.784 . . . . 0.0 110.984 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -79.0 -16.52 56.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.259 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -92.6 -30.48 15.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 0.0 111.261 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 pt -72.97 -0.29 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.0 2.46 23.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.683 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.12 82.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 117.821 0.81 . . . . 0.0 110.394 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -17.12 57.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.683 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 71.6 mt -78.71 118.03 69.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.672 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.49 -36.0 88.11 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.202 2.601 . . . . 0.0 113.962 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.55 -30.85 70.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.284 -0.96 . . . . 0.0 110.767 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -74.15 -32.71 63.24 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.67 -71.17 0.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.703 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -40.4 -41.44 1.39 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.032 0.833 . . . . 0.0 112.475 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -52.29 64.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.01 -46.95 92.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.495 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.54 -49.68 61.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.752 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.759 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.5 m -69.5 -28.51 66.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.607 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.452 ' CD1' HD13 ' A' ' 50' ' ' ILE . 75.9 mt -69.25 -30.33 68.44 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.093 0.473 . . . . 0.0 110.534 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.65 -45.62 93.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.173 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.66 92.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.893 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.72 -48.83 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -60.45 -44.37 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.937 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -35.85 78.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.709 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -66.81 -42.17 86.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.25 -13.31 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.247 0.546 . . . . 0.0 110.349 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -99.38 -4.03 32.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.418 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 m . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.768 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptt? . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.536 0.208 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -57.54 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 110.336 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.789 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -69.05 -35.42 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.111 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.27 -16.96 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.652 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -65.22 -12.55 52.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.358 0.599 . . . . 0.0 109.944 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.63 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.088 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -128.17 19.73 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.074 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.57 42.59 58.17 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 113.397 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.37 17.44 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.949 0.374 . . . . 0.0 111.456 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 pm0 -54.22 -20.32 6.73 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.453 ' CE2' HG21 ' B' ' 69' ' ' VAL . 2.6 m-85 -91.81 -26.01 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.745 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -42.9 -63.84 0.73 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.87 -40.79 1.45 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.768 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.56 -34.24 63.35 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.481 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 9.8 mt -80.61 24.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.646 0.378 . . . . 0.0 111.662 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.55 -21.01 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.296 0.569 . . . . 0.0 110.397 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -85.56 0.5 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.757 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.542 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 1.7 m120 -118.55 0.44 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.21 29.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.128 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.481 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 66.8 m95 -100.2 23.17 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.621 0.724 . . . . 0.0 109.309 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.5 27.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.546 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' B' ' 50' ' ' TRP . 31.4 t70 -147.41 121.83 9.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.295 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.71 -33.41 75.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.427 ' HB2' ' OD2' ' B' ' 52' ' ' ASP . 48.9 mt-10 -61.61 -46.51 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.623 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.79 -40.16 63.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.43 -20.78 63.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -63.08 -22.66 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.97 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.78 24.89 11.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.345 . . . . 0.0 111.351 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.01 138.94 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 50.6 p -100.04 176.62 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.41 -23.25 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.32 -51.97 26.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 28.9 m-20 -53.02 -47.2 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.324 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.524 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 76.7 mt -47.03 -62.61 1.33 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.509 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -35.08 -36.73 0.06 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.509 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 7.7 mt-10 -53.25 -41.73 65.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.37 11.74 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.07 3.61 61.77 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.184 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 3.3 t -82.84 65.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.226 0.536 . . . . 0.0 109.992 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -100.01 -2.54 34.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.78 131.85 69.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.223 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.7 -49.53 14.43 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.051 2.501 . . . . 0.0 112.936 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.34 85.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -56.7 -46.48 81.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -62.48 -51.31 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 0.0 110.571 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 41.1 tpt85 -56.29 -48.67 76.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.629 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.72 -44.3 94.0 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -45.49 90.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.578 0.228 . . . . 0.0 110.65 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.78 -33.88 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -36.76 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.273 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -62.03 -32.78 73.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.715 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.368 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -79.76 -55.69 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.192 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 120.671 0.272 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.99 -41.78 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -51.81 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.6 -38.47 78.03 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 111.211 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -72.08 -47.9 48.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.377 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.87 -26.45 62.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.12 -35.99 61.66 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.323 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -32.99 69.62 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.36 -1.54 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 67.73 33.84 4.71 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.574 0.546 . . . . 0.0 111.937 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.1 mmt -117.31 24.42 11.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.24 -19.93 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.077 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -78.13 2.76 16.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.534 -0.729 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HH ' ' CD2' ' A' ' 60' ' ' HIS . 90.2 m-85 -106.44 -2.97 21.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.668 0.27 . . . . 0.0 111.328 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -57.58 -29.8 64.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.79 -47.9 81.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.259 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -78.23 -36.08 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.896 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.2 -49.24 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.99 -30.75 62.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.15 63.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.99 0.424 . . . . 0.0 110.723 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.71 -5.72 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.377 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.62 -0.86 52.77 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.217 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -94.14 75.11 4.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.399 0.619 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -84.82 -72.39 0.48 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.47 152.36 45.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -56.93 -35.75 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.85 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -60.12 -28.83 68.19 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 -179.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -85.09 -36.68 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 45' ' ' MET . 68.1 t -62.67 -40.4 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.3 m -73.13 -12.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 11.0 mm-40 -85.9 -18.63 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.3 ptp -66.75 -176.77 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -144.26 -175.4 4.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -56.76 -46.19 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.69 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.42 -43.31 75.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.634 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.76 -39.28 77.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.265 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.917 HD13 HD13 ' A' ' 68' ' ' LEU . 93.1 mt -56.15 -33.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 123.108 0.563 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -87.12 -38.27 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.409 0.623 . . . . 0.0 109.971 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -62.7 -34.68 77.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 pt -76.11 2.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.98 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.09 -75.22 0.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.456 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 t -28.37 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.26 -1.72 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.375 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 32.8 mt -90.02 126.96 55.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.244 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.76 -50.68 9.81 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.57 2.846 . . . . 0.0 114.346 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.73 -38.42 96.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.934 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 19.2 m80 -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.543 ' HG2' HG21 ' A' ' 50' ' ' ILE . 30.9 mt-30 -74.38 -59.18 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.055 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -33.92 -52.13 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.491 1.119 . . . . 0.0 112.553 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -56.01 24.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.116 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.7 -44.46 93.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.92 79.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.85 -49.44 76.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 110.289 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -65.16 -29.63 70.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.979 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 50' ' ' ILE . 8.8 mt -66.0 -38.1 87.62 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.709 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.62 -37.45 78.66 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.14 -42.29 76.93 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.738 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.29 -43.78 98.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.301 . . . . 0.0 111.042 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 75' ' ' VAL . 66.7 mttm -62.94 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -38.93 79.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 110.676 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -63.63 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.65 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.6 p -71.89 -11.77 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.141 0.495 . . . . 0.0 111.048 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.2 -5.26 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.469 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.431 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -53.16 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.983 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.15 28.01 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -75.33 -48.58 22.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.99 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' B' ' 35' ' ' ALA . 42.8 mt -60.15 -35.54 75.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.305 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -7.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' B' ' 33' ' ' LEU . . . -77.65 -22.21 51.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.479 HD13 ' OG1' ' B' ' 81' ' ' THR . 8.1 pt -132.7 22.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.642 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.08 49.22 37.22 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.46 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.13 17.79 10.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pm0 -57.48 -21.11 35.3 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.74 -12.64 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.559 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.485 ' CE1' HG21 ' B' ' 69' ' ' VAL . 2.6 m-85 -95.16 -18.0 21.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -48.74 -59.96 3.12 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -45.16 -42.56 9.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.282 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.71 -42.81 53.24 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.241 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 73.5 mt -61.09 -52.52 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.047 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 99.2 t -51.82 -37.49 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -59.84 -55.63 31.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.684 0.278 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -55.33 -67.54 0.27 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.128 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 163.51 36.4 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.443 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 10.8 m95 -121.82 58.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -94.08 28.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.931 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -145.93 -173.13 4.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.007 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.93 -22.04 2.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.864 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.79 -58.5 7.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.155 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.42 0.02 56.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.465 . . . . 0.0 109.929 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 tp -75.97 -15.21 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.638 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -30.4 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.92 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -98.27 75.69 2.28 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.32 148.72 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.312 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -110.17 172.95 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -64.49 -31.98 73.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.176 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.89 -47.32 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.754 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -55.67 -49.08 73.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.093 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 80.6 mt -55.23 -57.99 9.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.453 0.168 . . . . 0.0 110.957 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -36.64 7.47 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.006 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -60.17 -27.47 67.15 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.55 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.27 1.22 57.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.916 0.388 . . . . 0.0 111.191 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.22 12.36 29.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.795 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.485 HG21 ' CE1' ' B' ' 41' ' ' TYR . 4.6 t -93.12 66.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 110.184 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -87.31 -9.2 55.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.94 131.98 78.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.28 -43.72 13.78 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.882 2.388 . . . . 0.0 113.119 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.45 94.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.9 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -62.1 -41.79 98.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -64.87 -54.29 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.13 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -53.77 -46.77 71.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.882 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -44.51 94.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.132 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -50.0 74.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.693 0.283 . . . . 0.0 110.496 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 mp -55.46 -43.46 75.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.177 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.83 -39.84 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.479 ' OG1' HD13 ' B' ' 36' ' ' ILE . 30.5 m -61.62 -38.64 88.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.383 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.58 -43.79 93.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.01 -46.59 80.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.132 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.751 179.283 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.74 0.305 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -61.35 -33.25 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.516 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -51.16 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -63.99 -32.73 74.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.608 0.242 . . . . 0.0 111.251 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -64.5 -47.16 79.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.217 0.532 . . . . 0.0 109.705 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.37 -8.32 55.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.21 -41.57 15.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.754 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.478 ' O ' HG21 ' A' ' 22' ' ' ILE . 1.4 p -78.98 52.57 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -178.27 -15.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.504 1.122 . . . . 0.0 108.58 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HE3' ' OD2' ' B' ' 52' ' ' ASP . 71.1 mmtt 65.97 40.74 3.97 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.1 mmt -113.57 24.65 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.455 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -26.49 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.706 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -80.91 -8.38 59.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.217 0.917 . . . . 0.0 111.621 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -86.86 -3.52 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.766 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -63.13 -38.87 92.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.324 0.583 . . . . 0.0 109.709 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.33 49.67 1.61 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.413 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.03 -51.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.313 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.83 -39.89 94.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 41.1 mtt -75.62 -9.05 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.436 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.05 -10.15 31.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.07 -3.97 40.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.697 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.62 -7.33 29.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.959 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -88.35 80.08 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 4.96 41.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.168 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' O ' HG21 ' A' ' 42' ' ' VAL . . . -153.44 159.32 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 111.123 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.51 -41.64 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' OE1' ' HB1' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -62.32 -32.04 72.74 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.168 -0.333 . . . . 0.0 111.211 -178.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -80.32 -30.96 38.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.999 0.428 . . . . 0.0 110.1 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 45' ' ' MET . 64.4 t -63.35 -38.44 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.805 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.04 -7.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.334 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.75 -28.88 36.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.0 ptp -68.64 -176.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -135.13 -177.56 4.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -57.86 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.12 -26.62 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.04 -39.77 83.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.092 0.472 . . . . 0.0 110.663 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.758 HD13 HD13 ' A' ' 68' ' ' LEU . 92.9 mt -59.03 -33.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 123.24 0.616 . . . . 0.0 111.024 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -78.89 -13.57 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.542 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -90.94 -39.06 12.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.953 0.406 . . . . 0.0 110.205 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 pt -78.47 16.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.863 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.22 -98.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.508 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -11.0 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.506 1.522 . . . . 0.0 114.725 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.05 -17.18 25.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 110.988 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 47' ' ' HIS . 57.9 mt -82.09 125.48 77.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -60.49 -37.57 79.79 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.953 2.436 . . . . 0.0 112.746 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.529 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -68.91 -38.01 84.35 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -66.81 -29.81 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -67.12 -64.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.646 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -40.15 -45.06 1.94 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.15 0.906 . . . . 0.0 112.649 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.86 -53.68 55.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.413 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.96 -46.49 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.033 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.72 84.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.37 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -57.65 -48.34 79.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -77.45 -7.2 55.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.791 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -89.29 -40.84 12.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.032 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.77 -36.08 78.07 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.94 93.45 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.714 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.43 -44.09 80.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.733 0.267 . . . . 0.0 110.671 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -61.76 -44.23 97.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.2 -41.93 85.0 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.613 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -62.46 -39.7 94.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.754 0.312 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.74 -13.86 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.431 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -10.56 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.083 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.071 179.302 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -53.0 62.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.418 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.55 67.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -68.44 -55.99 9.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.512 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.428 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 22.8 mt -61.38 -28.25 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.554 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 3.4 tpp180 -55.04 -21.92 14.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.626 0.371 . . . . 0.0 111.463 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.54 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.235 0.541 . . . . 0.0 110.372 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 pt -120.07 21.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.451 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.44 38.83 28.24 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.981 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.52 16.57 16.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.255 0.527 . . . . 0.0 110.587 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -54.94 -27.63 44.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.593 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -70.31 -3.13 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.853 0.359 . . . . 0.0 111.841 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.66 -19.65 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.347 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 46' ' ' VAL . 73.0 tt0 -53.9 -27.54 31.05 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.714 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.55 -47.1 85.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.045 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.31 -31.28 59.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.3 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.54 19.3 0.37 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.9 t -101.9 -24.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.496 0.665 . . . . 0.0 110.253 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.413 ' HA ' HD13 ' A' ' 57' ' ' LEU . 25.1 m80 -75.7 -16.52 60.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.365 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.592 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.1 OUTLIER -101.15 -8.06 22.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.25 23.22 45.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.738 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.592 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 69.1 m95 -85.16 42.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.222 0.534 . . . . 0.0 110.08 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -7.98 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.64 0.734 . . . . 0.0 109.69 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.467 ' OD2' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -110.99 147.55 34.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.99 -21.21 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.51 -57.32 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.556 0.217 . . . . 0.0 111.539 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -71.56 -24.61 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.29 -19.52 65.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.217 0.532 . . . . 0.0 110.076 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.5 m -72.78 -3.33 24.68 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.091 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.42 21.73 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.335 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.4 tt -71.31 130.65 35.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.3 p -96.63 173.16 7.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.47 -28.47 69.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' B' ' 65' ' ' GLU . 22.3 mm-40 -68.55 -49.19 61.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.476 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -54.99 -45.25 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.452 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 mt -56.48 -62.2 1.88 Allowed 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 1.7 pp20? -46.16 -36.93 6.4 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.21 -33.97 71.61 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 111.508 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.57 4.81 34.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.1 -14.34 51.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.497 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.57 75.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.0 109.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.4 -4.44 26.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 11.2 t70 -73.29 131.14 83.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.78 -53.21 6.42 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.46 2.774 . . . . 0.0 113.825 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.39 88.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.572 0.225 . . . . 0.0 111.58 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 32.9 m170 -60.39 -41.84 94.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.3 -51.07 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.237 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -55.83 -46.38 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.55 -43.71 96.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.029 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -44.29 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -56.79 -37.4 71.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.963 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.71 -35.47 65.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.7 m -62.04 -32.66 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.575 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.6 -38.13 63.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.049 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -84.04 -54.91 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.111 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.75 0.31 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 t -52.18 -41.88 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.768 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.23 75.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.946 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 21.0 mt-10 -62.34 -43.81 97.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -66.29 -44.29 83.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 0.0 109.579 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.34 -28.51 69.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.825 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 1.6 pp20? -84.72 -38.72 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -53.35 -35.28 60.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.947 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' CE1' ' B' ' 55' ' ' PHE . 25.3 pt -93.59 3.91 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 59.98 40.25 19.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.9 0.381 . . . . 0.0 111.5 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.434 ' SD ' ' HE2' ' A' ' 27' ' ' TYR . 16.1 mmt -128.73 31.44 4.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.87 -12.32 61.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.156 -1.383 . . . . 0.0 113.474 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -80.34 1.2 29.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.656 -0.652 . . . . 0.0 111.451 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HE2' ' SD ' ' A' ' 24' ' ' MET . 77.9 m-85 -106.46 2.92 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.206 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -59.78 -31.8 70.01 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.596 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.74 -44.75 93.65 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.765 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -73.0 -39.01 66.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.539 0.685 . . . . 0.0 111.21 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.512 ' SD ' HG23 ' A' ' 37' ' ' THR . 18.3 mmt -68.28 -30.93 70.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.971 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.12 -20.09 42.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.558 0.218 . . . . 0.0 111.424 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.32 0.49 48.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.47 -10.05 64.88 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.854 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -88.55 75.44 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.493 0.663 . . . . 0.0 109.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.512 HG23 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -95.92 4.49 52.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.229 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.01 158.38 39.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.575 0.226 . . . . 0.0 110.545 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.22 -42.56 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 2.4 mp0 -56.02 -38.96 71.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.882 0.373 . . . . 0.0 111.316 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.64 -37.77 35.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.154 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 45' ' ' MET . 73.7 t -59.78 -43.52 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.242 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 34.7 m -75.17 -7.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 24.0 mt-30 -87.84 -22.52 24.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.617 0.246 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.0 ptp -66.92 177.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.364 0.602 . . . . 0.0 111.5 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.1 t -133.96 178.7 6.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.408 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -55.41 -38.5 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 111.628 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.2 -39.45 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -58.71 -37.49 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.94 HD13 HD11 ' A' ' 68' ' ' LEU . 41.8 mm -58.13 -30.98 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 121.164 0.507 . . . . 0.0 111.016 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -89.82 -20.42 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.486 . . . . 0.0 110.731 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -82.25 -34.52 28.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.7 pt -73.21 -3.26 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.145 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.38 -82.42 0.31 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.019 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -19.37 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.05 1.34 . . . . 0.0 114.366 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -6.77 30.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.826 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.66 117.35 62.92 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 18.6 Cg_endo -58.55 -44.65 35.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.533 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -59.44 -43.42 97.47 Favored Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.133 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.8 -23.24 66.66 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 37.8 mt-30 -79.29 -11.44 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.846 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -91.77 -48.14 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.569 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -36.15 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.513 HG21 HD11 ' A' ' 50' ' ' ILE . 87.1 mt -71.21 -43.94 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.065 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -61.0 -37.89 84.12 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.268 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -56.99 11.75 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.678 0.752 . . . . 0.0 110.684 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -66.05 -39.65 90.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.405 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.94 HD11 HD13 ' A' ' 50' ' ' ILE . 14.3 mt -53.5 -45.54 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.248 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.0 mt -58.86 -42.31 89.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.202 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.13 -44.17 96.12 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.805 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.45 -40.87 83.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 43' ' ' VAL . 97.0 mttt -66.74 -42.07 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.08 -36.47 83.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.48 -41.14 98.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.836 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.2 p -74.01 -16.81 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.308 0.575 . . . . 0.0 110.623 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.94 -16.95 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.603 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.522 ' SD ' HD23 ' B' ' 56' ' ' LEU . 24.4 ptt? . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -56.61 19.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.1 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -74.65 -30.4 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.97 -23.25 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.654 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.5 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -52.55 -22.63 5.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 178.005 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.28 -37.55 72.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.757 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 pt -122.91 22.36 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.71 45.18 39.26 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.486 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.0 13.0 13.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.835 0.318 . . . . 0.0 111.348 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.5 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 11.4 pm0 -54.33 -25.51 24.38 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -68.59 -5.38 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -100.42 -19.62 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -45.47 -62.31 1.33 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.652 0.263 . . . . 0.0 111.705 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -43.58 -45.29 6.62 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.194 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.98 -31.36 75.15 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.88 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.98 -58.37 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.504 0.192 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' B' ' 51' ' ' ASP . 41.9 t -29.83 -51.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -52.45 -33.29 43.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.533 ' HA ' ' C ' ' A' ' 59' ' ' GLY . 2.3 m-20 -94.97 16.79 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.94 46.18 4.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.111 -1.043 . . . . 0.0 112.418 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -129.74 31.39 4.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.6 0.714 . . . . 0.0 109.099 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.412 ' HB3' HG13 ' B' ' 46' ' ' VAL . 15.2 p-10 -87.83 -6.27 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.424 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -113.7 128.22 56.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.942 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.68 -32.37 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.282 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -19.1 62.11 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.199 0.523 . . . . 0.0 110.725 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 22' ' ' ILE . 19.5 t80 -93.65 -34.57 13.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.794 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.522 HD23 ' SD ' ' B' ' 29' ' ' MET . 5.8 tp -67.9 -23.91 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.347 . . . . 0.0 111.312 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -108.3 17.2 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 110.62 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -69.62 148.55 11.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.065 0.46 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -102.6 170.22 8.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.07 -6.73 47.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.532 . . . . 0.0 109.957 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -100.88 -47.82 4.67 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 5.5 m-20 -56.48 -28.08 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.437 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -55.03 -50.88 67.96 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.406 -0.184 . . . . 0.0 110.929 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.504 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.15 -36.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.739 0.649 . . . . 0.0 111.934 177.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.638 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 0.2 OUTLIER -49.91 -36.89 29.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.68 9.37 30.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.26 -3.31 63.95 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.86 77.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.143 0.497 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . 0.41 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 83.0 mt-30 -104.14 15.89 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -96.33 132.28 26.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.49 -48.66 14.47 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.095 2.53 . . . . 0.0 113.443 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.99 83.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.577 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -59.62 -45.95 90.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.647 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.56 -51.36 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 0.0 110.549 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -55.56 -46.07 77.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.285 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.83 -41.93 98.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.391 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.44 -48.95 78.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.664 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.54 -40.85 79.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.372 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.38 -38.73 85.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 0.0 110.357 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -66.44 -35.41 80.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.187 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.01 -40.65 67.17 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 120.882 0.373 . . . . 0.0 111.014 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -76.8 -46.68 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.776 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.278 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 37' ' ' THR . 1.7 t -59.31 -47.38 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -45.2 87.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.914 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.16 -37.21 84.35 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.047 0.451 . . . . 0.0 110.288 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.416 ' NE1' ' HB2' ' A' ' 67' ' ' SER . 63.1 t90 -68.05 -46.26 71.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.823 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.94 -37.13 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.844 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.82 -40.6 97.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.51 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 22' ' ' ILE . 3.4 pt -90.56 -0.99 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 122.127 -0.358 . . . . 0.0 110.938 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HG3' ' CG ' ' B' ' 52' ' ' ASP . 71.7 mmtt 67.85 26.44 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.579 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 37.5 mmt -103.62 31.72 4.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.92 -35.55 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.23 -0.896 . . . . 0.0 113.315 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -73.81 -4.57 35.57 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 121.4 -0.813 . . . . 0.0 112.297 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 69.0 m-85 -92.95 1.59 57.22 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.724 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m -61.98 -32.68 73.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.68 46.34 1.15 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.898 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 50.2 m80 -155.24 -56.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.462 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -59.3 -45.68 90.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.267 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.509 ' SD ' HG23 ' A' ' 37' ' ' THR . 22.8 mmt -63.35 -33.4 75.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.94 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.59 -17.82 43.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 111.515 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.77 0.9 55.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.753 0.311 . . . . 0.0 111.381 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.23 76.77 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.511 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -92.04 69.99 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.6 p -82.04 -75.23 0.31 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.232 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.22 153.25 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.926 0.393 . . . . 0.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.85 -38.45 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 2.5 mp0 -59.34 -30.64 68.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.766 0.317 . . . . 0.0 110.901 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -83.56 -35.58 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 45' ' ' MET . 91.6 t -60.63 -39.63 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.857 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.8 m -75.41 -11.77 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 76.6 mt-30 -85.36 -18.87 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.386 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 7.6 ptp -65.53 174.93 1.99 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.015 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -129.2 174.64 9.39 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.14 -43.93 82.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.843 0.354 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.88 -35.27 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -56.91 -41.89 78.95 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 110.723 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.863 HD11 HG21 ' A' ' 64' ' ' ILE . 41.7 mm -56.43 -34.46 41.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.658 0.742 . . . . 0.0 110.962 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -85.72 -14.36 45.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.343 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -94.38 -30.52 14.44 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.369 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.2 pt -76.13 6.33 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.924 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.14 -82.04 0.31 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.054 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 27' ' ' TYR . 1.9 t -24.34 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -103.35 -5.33 23.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.759 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.1 mt -86.11 127.1 63.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.444 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.22 -46.24 35.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.746 2.964 . . . . 0.0 114.013 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.503 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.59 -38.81 78.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -63.84 -31.97 73.33 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -69.69 -58.04 4.41 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.49 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -36.48 -51.68 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.896 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -58.25 7.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.863 HG21 HD11 ' A' ' 50' ' ' ILE . 56.7 mt -61.3 -49.66 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.621 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.36 -39.56 70.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.709 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.98 -55.84 28.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.368 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.416 ' HB2' ' NE1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -58.42 -35.16 71.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.701 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.768 HD11 HD13 ' A' ' 50' ' ' ILE . 33.4 mt -62.12 -39.73 93.52 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.3 mt -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.271 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.32 89.69 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.508 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.0 -45.77 82.79 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.631 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 75' ' ' VAL . 26.4 mttt -64.92 -40.91 95.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.45 -43.7 89.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -59.08 -45.13 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.797 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.0 p -71.25 -13.77 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 111.641 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -94.01 -5.17 48.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.182 0.515 . . . . 0.0 110.375 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.053 178.806 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptt? . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.391 0.139 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -49.14 78.35 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.58 44.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.848 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . 0.445 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 30.7 t90 -76.79 -47.21 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.445 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 59.8 mt -80.05 29.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 13.1 tpp180 -109.47 1.21 19.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.77 -11.12 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.894 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.403 HD13 ' OG1' ' B' ' 81' ' ' THR . 15.1 pt -134.65 17.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.95 54.25 19.25 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.579 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -126.67 10.77 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.773 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pm0 -59.23 -25.54 64.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.392 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -10.48 56.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.22 -9.97 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.38 -62.55 1.43 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -46.82 -40.42 13.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.31 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.81 -38.42 96.13 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.397 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.55 -47.56 26.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.457 0.17 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 73.4 t -44.91 -36.22 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -18.96 46.62 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.503 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 74.3 m-20 -108.78 26.23 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.49 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.57 49.5 37.03 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.257 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -121.22 31.43 6.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 110.269 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.18 41.05 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.81 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.497 ' CG ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -152.5 174.33 14.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.094 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.42 -16.83 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.629 0.252 . . . . 0.0 111.476 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.74 -49.81 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.268 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.34 -30.95 63.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.7 -15.27 63.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -66.02 -22.68 66.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -125.22 60.91 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.485 0.659 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -94.02 151.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.997 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -100.12 162.06 13.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.88 -27.43 68.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.77 -45.79 70.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.19 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -43.67 78.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 67.5 mt -57.11 -54.78 42.84 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.96 31.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.822 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -65.73 -11.15 43.12 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.55 -0.77 31.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.675 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 -11.51 33.16 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.737 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.2 t -83.73 74.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.317 0.579 . . . . 0.0 110.203 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -92.86 2.11 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -84.19 129.31 58.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.3 -43.18 29.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.983 2.455 . . . . 0.0 113.104 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -63.72 -48.7 76.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.555 0.217 . . . . 0.0 111.397 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -62.37 -37.72 86.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.607 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -64.02 -57.27 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.78 -43.9 69.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.498 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -57.99 -48.4 80.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.99 -48.09 83.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.93 -45.1 74.76 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -40.14 91.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.403 ' OG1' HD13 ' B' ' 36' ' ' ILE . 29.9 m -65.53 -38.59 90.09 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.76 -48.19 80.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -67.5 -40.36 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 178.679 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.323 0.106 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 t -52.35 -40.0 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 123.406 0.441 . . . . 0.0 111.526 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.884 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.66 -34.29 69.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -67.47 -41.81 84.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.6 mt -73.18 -26.09 61.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.033 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.28 -48.01 74.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -51.15 50.33 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.43 5.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 O-C-N 121.943 -0.473 . . . . 0.0 111.467 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HG3' ' HB2' ' B' ' 55' ' ' PHE . 14.9 mmtp 59.67 40.36 20.05 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.41 0.624 . . . . 0.0 111.651 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 mmt -111.86 32.79 5.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -57.83 -30.41 65.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.68 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pm0 -77.91 -9.92 59.32 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 121.918 -0.489 . . . . 0.0 111.536 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.74 -3.01 58.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 110.82 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -66.27 -26.24 67.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 109.764 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -83.88 48.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.308 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -44.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.469 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -59.83 -44.46 94.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.607 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.707 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 25.9 mmt -71.69 -25.29 62.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.298 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -18.08 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 0.0 110.85 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.2 -4.36 59.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.551 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.6 -10.02 55.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.738 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -87.09 76.57 9.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.3 0.571 . . . . 0.0 109.721 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.707 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -95.18 5.82 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.613 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -153.08 156.78 39.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.73 0.3 . . . . 0.0 110.861 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -53.98 -42.25 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.8 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.463 ' OE1' ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -62.69 -33.98 76.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.236 -178.525 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -78.56 -35.81 45.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.6 t -61.62 -37.92 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.288 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 71' ' ' LEU . 17.1 m -75.49 -12.19 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.638 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -82.45 -25.67 33.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.817 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.0 ptp -65.5 173.66 2.59 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.422 HG22 ' OD2' ' A' ' 49' ' ' ASP . 6.6 t -132.62 -179.09 5.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.18 -44.01 71.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.655 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.77 -39.51 85.09 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' HG22 ' A' ' 46' ' ' THR . 5.1 m-20 -54.05 -45.35 71.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.749 0.309 . . . . 0.0 111.273 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.897 HD11 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -56.04 -42.16 71.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 123.738 0.815 . . . . 0.0 110.997 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -81.6 -11.08 59.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.702 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -95.62 -36.05 11.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -76.41 18.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.136 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.17 -93.28 0.41 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.081 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -9.09 81.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.641 1.577 . . . . 0.0 114.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -88.84 -16.22 32.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.632 HD11 ' CD2' ' A' ' 60' ' ' HIS . 41.5 mt -76.19 119.47 77.43 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.52 -39.93 88.27 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.137 2.558 . . . . 0.0 113.598 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -64.31 -46.2 91.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.41 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.632 ' CD2' HD11 ' A' ' 57' ' ' LEU . 23.7 m-70 -63.21 -31.58 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -61.83 -66.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.81 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -39.04 -46.68 1.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.09 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -59.79 -46.43 89.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.897 179.741 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.897 HG21 HD11 ' A' ' 50' ' ' ILE . 93.4 mt -68.39 -44.77 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -60.44 -39.07 86.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.053 0.454 . . . . 0.0 110.945 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -67.03 -41.01 87.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 m -68.44 -29.63 68.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.092 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.617 HD11 HD13 ' A' ' 50' ' ' ILE . 15.8 mt -66.57 -36.39 82.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.425 0.155 . . . . 0.0 111.417 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 42.4 mt -60.98 -38.44 85.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.84 96.45 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.469 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' HB3' HG11 ' A' ' 43' ' ' VAL . 12.7 mt -60.84 -46.47 90.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.885 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' HG12 ' A' ' 75' ' ' VAL . 37.7 mttm -63.24 -39.97 96.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.11 -43.11 93.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.92 -37.65 87.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.6 p -75.86 -10.06 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.253 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -89.85 -11.63 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptt? . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -53.36 59.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.052 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.21 65.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.177 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -68.51 -50.88 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.025 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.489 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -60.05 -6.23 1.3 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.3 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 pt -127.84 27.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.187 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.42 51.65 21.07 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.916 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 12.97 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.038 0.419 . . . . 0.0 111.654 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -53.08 -24.46 10.11 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.95 -11.46 60.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.44 ' HH ' ' CD2' ' B' ' 74' ' ' HIS . 22.5 m-85 -87.81 -22.92 24.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.48 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 46' ' ' VAL . 29.9 tt0 -48.71 -51.42 28.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.197 0.31 . . . . 0.0 110.946 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -43.62 -46.11 7.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.642 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.74 60.33 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.551 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.15 24.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.467 0.307 . . . . 0.0 111.645 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 42' ' ' GLU . 46.2 t -104.13 -38.26 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.427 ' HA ' HD13 ' A' ' 57' ' ' LEU . 12.4 m170 -71.11 -4.85 27.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.539 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 2.2 m120 -114.87 3.95 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.199 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.69 38.55 61.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.711 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -109.92 19.55 18.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.431 0.634 . . . . 0.0 109.512 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.05 -19.22 40.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.998 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.13 112.61 20.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.632 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 30.8 mt -58.44 -37.06 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -62.03 -38.11 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . 0.519 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t80 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 tp -61.69 -24.93 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -68.66 -11.96 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -117.73 16.87 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.942 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.3 144.24 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.008 0.432 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -92.81 177.18 6.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.91 -6.57 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -94.38 -43.88 8.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.022 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.16 -33.24 51.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.609 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.25 -57.05 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -42.7 -34.21 0.86 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 1.2 mm-40 -56.18 -40.08 73.39 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.06 20.5 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.878 0.371 . . . . 0.0 111.499 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.07 84.83 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.549 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 62.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.49 0.662 . . . . 0.0 110.132 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.17 23.37 9.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.936 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -107.39 133.9 20.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.381 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.04 -52.07 8.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.239 2.626 . . . . 0.0 113.307 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.59 89.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.714 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . 0.44 ' CD2' ' HH ' ' B' ' 41' ' ' TYR . 58.0 m80 -62.36 -44.71 95.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.461 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -61.18 -52.14 66.08 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.38 -49.38 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.032 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.16 -47.43 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.787 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -48.76 80.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 110.339 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.17 -41.73 75.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.91 -39.39 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.9 m -62.5 -35.44 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.216 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.66 -39.76 65.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.53 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -80.21 -52.04 8.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.403 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.685 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.709 0.29 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 t -49.07 -41.96 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.958 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -40.95 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.863 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -63.88 -35.16 79.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 111.339 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -72.86 -36.13 67.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.161 0.505 . . . . 0.0 109.961 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -75.53 -38.54 59.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.566 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -69.64 -39.34 77.17 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -58.5 -41.05 84.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 pt -86.84 3.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.176 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 19.7 mmtp 58.57 42.55 20.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.183 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.32 26.64 9.08 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.043 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -75.37 -2.77 30.02 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 119.084 0.856 . . . . 0.0 111.327 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CD1' HG23 ' A' ' 55' ' ' VAL . 73.7 m-85 -92.43 8.55 38.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 0.0 110.186 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -71.71 -27.38 62.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.46 43.81 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.672 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -160.39 -51.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.28 -41.05 79.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.222 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.545 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 24.7 mmt -72.6 -24.53 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.19 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -24.57 40.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.066 0.46 . . . . 0.0 110.695 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.6 -3.06 52.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.068 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.29 -3.72 61.88 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.07 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.45 77.46 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.43 0.634 . . . . 0.0 109.505 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.545 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.5 p -97.7 5.44 49.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.885 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -149.58 153.69 37.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.6 mm -58.65 -34.96 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.65 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' OE1' ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -62.68 -32.36 73.42 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.526 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -79.66 -38.19 34.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' HG2' ' A' ' 45' ' ' MET . 75.7 t -58.3 -41.26 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.403 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 m -74.12 -16.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.564 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -82.47 -26.04 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.604 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 7.9 ptp -66.68 176.87 1.79 Allowed 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.3 t -136.18 178.15 7.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.29 -36.04 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.9 78.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.084 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.11 -48.67 78.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.834 HD11 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -53.67 -43.46 55.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 C-N-CA 123.614 0.766 . . . . 0.0 111.008 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -77.73 -10.25 59.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.043 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -103.42 -34.88 8.57 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -76.13 15.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.44 -94.31 0.35 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.944 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 27' ' ' TYR . 1.6 t -10.6 87.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.527 1.531 . . . . 0.0 114.486 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -93.92 -15.57 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.568 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.7 mt -75.32 129.52 82.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.71 -47.72 22.19 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.564 2.843 . . . . 0.0 113.816 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.61 -34.96 73.75 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 120.061 -1.066 . . . . 0.0 112.852 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -65.03 -29.81 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.767 0.794 . . . . 0.0 109.071 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -72.66 -64.57 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.97 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -35.88 -48.49 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.196 0.935 . . . . 0.0 112.917 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' B' ' 55' ' ' PHE . 0.1 OUTLIER -58.17 -49.06 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.053 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.834 HG21 HD11 ' A' ' 50' ' ' ILE . 90.0 mt -65.9 -47.51 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.224 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.75 81.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.071 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -54.97 -49.95 70.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.437 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -62.6 -33.58 75.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.86 -38.78 92.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.82 -41.13 90.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.22 91.35 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.826 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.87 -45.3 86.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.762 0.315 . . . . 0.0 110.985 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 mttm -61.82 -43.19 99.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.0 -42.35 94.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.26 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 15.2 mm-40 -58.55 -42.88 88.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.953 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.5 p -74.02 -10.01 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.398 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.45 -15.85 23.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 110.528 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.56 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -56.67 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.6 -27.02 57.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.107 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -75.64 -57.46 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' B' ' 35' ' ' ALA . 83.4 mt -59.52 -31.63 69.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.0 -10.16 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' B' ' 33' ' ' LEU . . . -71.0 -29.24 65.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.042 0.449 . . . . 0.0 109.831 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 pt -129.84 27.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.71 49.0 17.39 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 113.659 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.35 14.13 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.486 -0.42 . . . . 0.0 111.501 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -55.36 -25.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.084 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -69.56 -0.4 6.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.634 0.254 . . . . 0.0 111.547 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -105.31 -21.48 13.23 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.455 -0.153 . . . . 0.0 111.375 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.408 ' HB2' HD11 ' B' ' 33' ' ' LEU . 68.8 tt0 -48.0 -52.83 18.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.311 0.382 . . . . 0.0 110.921 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -48.05 7.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.372 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.42 44.73 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.747 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.8 -58.89 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.363 0.125 . . . . 0.0 111.208 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -44.75 -37.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.86 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.583 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 3.0 m120 -112.95 27.24 9.79 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.373 -0.531 . . . . 0.0 112.061 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.6 54.79 4.85 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.205 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -133.01 34.21 3.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.486 0.66 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -78.34 -17.28 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.583 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.526 ' OD2' ' HG3' ' A' ' 23' ' ' LYS . 29.1 t70 -104.42 127.74 52.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.04 -29.7 60.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.02 -44.39 96.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.225 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . 0.525 ' CE2' ' HD3' ' A' ' 63' ' ' ARG . 31.8 t80 -73.48 -28.9 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.5 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.4 -24.56 66.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -16.55 64.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -112.02 24.51 12.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.901 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.0 tt -76.36 148.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.148 0.499 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.8 p -102.34 166.23 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.137 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.88 -15.01 62.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.11 -52.8 6.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.573 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -22.38 65.98 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.4 -51.38 69.66 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -41.28 -37.66 1.01 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.71 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.405 ' HB3' HD21 ' B' ' 48' ' ' ASN . 9.9 mm-40 -54.7 -33.58 61.13 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.69 10.7 24.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.87 0.367 . . . . 0.0 111.567 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.03 -4.15 70.94 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.304 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.64 71.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.054 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.64 -8.23 35.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.715 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -76.44 128.6 81.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.76 -46.15 31.62 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.148 2.565 . . . . 0.0 113.367 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.0 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.618 0.247 . . . . 0.0 111.552 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -60.29 -39.03 85.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.85 -54.75 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 109.756 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 76' ' ' ARG . 16.3 tpt85 -54.97 -44.86 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.924 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.47 -47.55 83.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.387 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -49.26 77.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.355 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.88 -43.03 72.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.244 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.98 -41.64 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.05 0.453 . . . . 0.0 110.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 m -64.74 -34.34 78.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.429 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.95 -47.77 70.94 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 120.736 0.303 . . . . 0.0 110.998 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -73.96 -45.72 48.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.785 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -179.717 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.68 -39.27 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -50.74 71.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.43 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.42 -31.64 71.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.851 0.358 . . . . 0.0 111.6 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.178 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -79.36 -33.25 43.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.862 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.56 -45.54 86.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.972 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.19 -40.41 67.53 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -88.47 5.04 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.85 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt 67.77 35.08 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.555 0.742 . . . . 0.0 111.87 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 mmt -114.22 25.58 10.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -27.4 38.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.01 -0.996 . . . . 0.0 113.103 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -82.11 -4.38 56.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.542 0.61 . . . . 0.0 111.809 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' CD1' HG23 ' A' ' 55' ' ' VAL . 74.1 m-85 -96.74 2.31 51.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 m -64.34 -32.38 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.794 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.07 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.82 0.819 . . . . 0.0 109.638 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.037 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.2 -41.6 98.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 110.578 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtt -61.68 -45.51 93.69 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.545 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.8 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 110.756 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 -20.34 60.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.497 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.6 44.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.734 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.19 73.67 4.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.159 0.504 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.6 13.72 33.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' O ' HG21 ' A' ' 42' ' ' VAL . . . -148.77 146.26 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.361 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.9 mm -53.66 -43.29 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -27.42 69.04 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.53 -178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 19.9 mttp -84.99 -34.68 22.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.744 0.307 . . . . 0.0 110.714 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.593 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.7 t -59.7 -36.91 68.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.75 -5.3 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 41' ' ' LYS . 77.0 mt-30 -83.68 -24.41 31.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.649 0.261 . . . . 0.0 110.749 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 12.2 ptp -64.67 179.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 111.555 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 t -139.22 176.08 9.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.79 -52.36 60.51 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.349 0.406 . . . . 0.0 111.814 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.54 -36.41 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 111.584 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -62.53 -37.75 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.299 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.864 HD13 ' CD1' ' A' ' 68' ' ' LEU . 93.2 mt -60.02 -28.96 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.592 0 CA-C-O 121.583 0.706 . . . . 0.0 111.018 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -86.72 -13.94 43.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.294 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -91.2 -38.49 12.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.2 pt -70.34 11.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.689 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.38 -85.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.955 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 27' ' ' TYR . 3.5 t -23.93 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.552 1.141 . . . . 0.0 113.842 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -97.23 -11.55 24.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -78.19 120.63 81.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.105 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.0 -42.24 53.76 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.207 2.604 . . . . 0.0 113.331 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -68.93 -31.59 72.78 Favored Glycine 0 N--CA 1.44 -1.058 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.105 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -71.76 -30.08 65.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -68.21 -62.29 1.46 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.18 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -43.44 -43.16 5.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.752 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -52.93 63.4 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.22 0.533 . . . . 0.0 109.903 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.72 -43.58 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.269 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.46 -37.62 73.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.369 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.569 0.7 . . . . 0.0 110.322 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 m -71.26 -24.2 62.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.899 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.864 ' CD1' HD13 ' A' ' 50' ' ' ILE . 12.9 mt -71.23 -32.83 69.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.6 mt -64.61 -42.1 95.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.75 -45.98 94.82 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.061 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.41 -43.78 88.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 111.446 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 75' ' ' VAL . 58.9 mttm -65.89 -38.66 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.28 -41.27 73.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.296 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -66.81 -35.73 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.518 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.4 p -72.62 -17.82 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.374 0.607 . . . . 0.0 110.126 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -92.56 -8.91 43.03 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.203 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -59.99 -49.57 77.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.165 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.35 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.676 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -69.21 -42.56 75.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.955 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.8 -28.02 60.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.153 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.455 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 6.0 tpp180 -59.68 -22.29 61.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.983 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.67 68.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.589 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.452 HD13 ' OG1' ' B' ' 81' ' ' THR . 14.9 pt -121.48 17.73 5.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.686 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.85 46.16 60.58 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.49 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.57 14.17 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.933 0.366 . . . . 0.0 110.972 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.455 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 2.9 pm0 -53.37 -21.61 6.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -72.27 -15.16 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -86.38 -22.87 26.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.489 ' O ' HG22 ' B' ' 46' ' ' VAL . 70.9 tt0 -49.75 -31.17 10.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.0 -48.27 73.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.88 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.17 -28.9 55.2 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.796 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.14 14.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.489 HG22 ' O ' ' B' ' 42' ' ' GLU . 49.0 t -102.63 -28.25 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.243 0.544 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -77.46 -10.87 59.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.263 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.482 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 1.0 OUTLIER -111.35 -2.46 15.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.623 0.249 . . . . 0.0 111.112 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.13 52.92 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.699 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.482 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 56.9 m95 -116.25 21.5 13.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.104 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.87 5.11 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -111.2 112.02 23.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.261 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.79 -53.93 43.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.176 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.56 -28.6 66.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.237 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.85 -22.37 66.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.998 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.6 m -76.47 -2.49 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.744 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.29 17.49 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.188 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.5 tt -70.06 141.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 59.4 p -102.17 177.54 4.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.0 -16.6 61.51 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.68 -52.76 10.77 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.454 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -52.06 -46.09 65.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -48.83 -61.72 1.9 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.511 0.196 . . . . 0.0 110.661 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -42.53 -47.28 5.1 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.805 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.16 -31.75 67.55 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.05 4.57 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 111.476 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.44 -8.36 60.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.653 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 t -82.33 75.59 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.218 0.533 . . . . 0.0 110.047 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -96.95 -12.79 22.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.283 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 30.1 t70 -69.55 128.86 91.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.975 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -52.48 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.323 2.682 . . . . 0.0 113.377 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.1 90.26 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 35.6 m80 -61.66 -41.14 97.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.834 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -64.2 -47.78 78.45 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -57.88 -49.94 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.637 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.49 -48.7 78.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.941 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -45.32 89.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.579 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.14 -36.61 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.74 -37.87 64.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.181 0.515 . . . . 0.0 110.231 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.452 ' OG1' HD13 ' B' ' 36' ' ' ILE . 13.7 m -60.79 -34.42 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.123 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 95.5 mt -53.3 -31.05 42.09 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.043 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.41 -49.46 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' B' ' 81' ' ' THR . 14.6 tp . . . . . 0 N--CA 1.465 0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.742 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.756 0.312 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.11 -40.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.412 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 p -57.2 -43.57 82.87 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.333 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.47 -47.42 86.21 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.673 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 7.2 t90 -61.21 -55.53 31.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.526 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 18.2 mt -58.61 -41.78 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.684 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.38 -46.63 88.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.462 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.7 p -62.16 -39.68 93.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.9 pt -85.12 -1.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 121.495 -0.753 . . . . 0.0 110.543 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HZ3' ' CG ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER 71.65 18.59 5.25 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.937 177.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.463 ' HE2' ' CD2' ' A' ' 60' ' ' HIS . 27.3 mmt -100.16 26.97 5.96 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -54.76 -33.33 61.16 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -77.44 14.77 0.9 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' HH ' ' CD2' ' A' ' 60' ' ' HIS . 77.8 m-85 -121.37 4.17 10.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.203 0.525 . . . . 0.0 110.056 177.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -65.86 -35.51 80.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.682 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.13 5.65 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.459 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.22 -41.71 3.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -59.57 -45.12 92.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.611 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.677 ' SD ' HG23 ' A' ' 37' ' ' THR . 20.0 mmt -62.4 -26.6 68.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.953 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.07 46.33 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.0 110.917 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -26.68 61.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.5 14.31 7.6 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.337 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.27 71.16 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.38 0.609 . . . . 0.0 109.952 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.677 HG23 ' SD ' ' A' ' 32' ' ' MET . 22.9 p -99.35 15.11 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.855 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -150.35 153.02 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.69 -45.2 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE1' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -62.98 -38.55 91.59 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.301 -178.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.445 ' HG3' ' OE1' ' A' ' 40' ' ' GLU . 3.1 mttp -66.83 -35.83 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.237 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.99 -39.09 79.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.35 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.59 -36.2 33.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.411 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 ptp -61.08 178.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.335 0.588 . . . . 0.0 111.513 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 t -132.67 175.73 9.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.48 -48.07 72.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.234 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.5 -30.41 71.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.93 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -34.65 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.105 0.478 . . . . 0.0 110.044 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.717 HD13 HD11 ' A' ' 68' ' ' LEU . 92.8 mt -59.27 -30.84 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 123.435 0.694 . . . . 0.0 110.994 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -78.16 -22.91 48.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.768 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -86.06 -34.57 20.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.075 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.28 -12.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.45 -70.16 0.38 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.222 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -37.51 107.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -118.61 25.23 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.03 0.443 . . . . 0.0 111.07 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 30.7 mt -111.81 133.45 21.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.97 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.31 -53.36 6.79 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 124.078 3.186 . . . . 0.0 114.674 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.34 -36.68 93.51 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.979 -1.105 . . . . 0.0 111.846 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CD2' ' HH ' ' A' ' 27' ' ' TYR . 26.7 m80 -69.94 -25.66 63.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.853 0.835 . . . . 0.0 108.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -88.28 -1.34 57.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.636 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.36 -42.32 7.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.299 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.452 HH22 ' HA ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -56.49 -51.79 67.17 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 68.9 mt -62.92 -45.15 99.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.7 91.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.5 -49.4 77.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 m -64.93 -32.47 74.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.717 HD11 HD13 ' A' ' 50' ' ' ILE . 82.4 mt -60.16 -37.63 80.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.294 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.63 -48.16 82.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.15 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.944 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.69 -42.31 96.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.877 0.37 . . . . 0.0 111.228 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.71 -33.38 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.5 -39.38 70.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.823 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -60.44 -41.26 93.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.702 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.86 -11.63 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -91.4 -17.35 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.467 0.651 . . . . 0.0 109.838 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.59 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.2 ptt? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.769 0.319 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -56.4 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.43 -33.74 45.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -75.06 -45.55 40.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.09 -29.77 70.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.43 -12.38 3.83 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.712 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.19 68.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.521 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.478 HD13 ' OG1' ' B' ' 81' ' ' THR . 9.2 pt -128.77 15.93 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.267 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.56 93.36 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.646 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.8 17.53 18.0 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.483 -0.422 . . . . 0.0 111.188 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 pm0 -65.43 -16.77 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 110.37 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -67.31 -11.28 57.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.204 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -108.1 -4.7 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -50.42 -58.01 6.7 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -46.83 -45.9 20.48 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.29 -35.15 89.9 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.224 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 82.9 mt -71.43 -52.29 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.688 0.28 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 97.3 t -54.27 -43.73 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.9 -47.93 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.489 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.59 -50.86 70.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.987 0.422 . . . . 0.0 110.402 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.87 47.82 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.326 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.463 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 47.4 m95 -127.67 24.14 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.674 0.274 . . . . 0.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.478 ' CG ' ' HZ3' ' A' ' 23' ' ' LYS . 17.9 p-10 -81.28 3.09 25.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.209 0.528 . . . . 0.0 110.228 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' HB3' ' A' ' 23' ' ' LYS . 1.9 m-20 -90.28 105.18 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.107 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.65 -23.97 62.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.07 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.49 3.79 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.358 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.452 ' HA ' HH22 ' A' ' 63' ' ' ARG . 12.4 tp -71.25 -21.12 62.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.596 0.236 . . . . 0.0 111.21 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -69.56 -24.92 63.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.056 0.455 . . . . 0.0 110.388 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.32 90.74 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.8 tt -154.34 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.641 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -102.09 175.74 5.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.039 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.75 -26.85 66.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.46 ' C ' ' H ' ' B' ' 64' ' ' LEU . 49.2 mt-10 -78.26 -28.44 47.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.835 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -80.1 21.62 0.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.394 0.616 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' B' ' 62' ' ' GLU . 72.7 mt -116.22 -62.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.511 ' HB2' ' HG2' ' B' ' 70' ' ' GLN . 0.1 OUTLIER -47.83 -28.96 2.85 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.79 177.06 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -62.33 -23.09 66.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.956 0.408 . . . . 0.0 111.132 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.62 8.9 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.246 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 -5.85 49.68 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -81.77 68.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.25 0.547 . . . . 0.0 110.19 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . 0.511 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 93.8 mt-30 -98.2 27.48 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.223 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -116.41 131.86 23.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.3 -40.73 65.67 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.065 2.51 . . . . 0.0 113.344 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.57 81.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -64.32 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.62 -54.49 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -52.09 -42.67 63.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.643 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -43.3 96.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -59.99 -52.27 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.83 -47.42 77.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.69 -43.16 89.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.813 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.478 ' OG1' HD13 ' B' ' 36' ' ' ILE . 21.0 m -69.11 -33.15 73.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.439 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 89.9 mt -60.06 -49.82 76.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.358 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.61 -33.54 75.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.398 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 tp . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.508 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 t -56.21 -36.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.434 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -62.0 -35.57 78.93 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 111.687 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 67' ' ' SER . 52.4 t90 -66.12 -37.25 85.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 13.5 mt -88.07 -27.38 22.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -65.32 -46.49 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.339 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -55.63 -48.38 75.02 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 pt -79.85 2.45 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.499 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 67.19 38.52 3.35 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.843 0.715 . . . . 0.0 112.524 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.2 mmt -118.33 30.21 7.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.737 0.779 . . . . 0.0 109.165 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -57.38 -23.19 47.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.449 -1.25 . . . . 0.0 113.979 -178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -81.66 -7.51 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.721 0.691 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.508 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 73.4 m-85 -97.32 -8.62 29.24 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -56.37 -37.59 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.11 -50.74 70.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -55.89 -39.76 72.02 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.418 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 14.9 m-85 -61.5 -48.51 80.77 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.52 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.3 mtt -73.0 -7.21 50.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.106 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 -15.84 21.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 0.0 110.05 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.61 -4.04 45.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.21 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.39 -7.58 47.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.745 -0.741 . . . . 0.0 113.051 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -86.97 68.61 10.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.78 7.73 39.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.14 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB1' ' OE2' ' A' ' 40' ' ' GLU . . . -138.86 141.11 38.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.341 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.98 -45.29 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' OE2' ' HB1' ' A' ' 38' ' ' ALA . 1.3 mp0 -58.96 -33.62 70.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.77 0.319 . . . . 0.0 111.346 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.52 -33.72 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.105 0.478 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.594 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -64.86 -43.32 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.296 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.4 m -74.27 -14.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -81.79 -25.02 35.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.365 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.594 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.5 ptp -66.44 -178.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -131.82 176.66 8.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.86 -41.27 77.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.168 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.09 -32.67 73.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.425 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 46' ' ' THR . 2.9 m-20 -58.87 -36.13 74.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.109 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.779 HD13 HD13 ' A' ' 68' ' ' LEU . 96.2 mt -57.0 -39.56 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.262 0.553 . . . . 0.0 111.004 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 7.3 mtpp -77.59 -38.45 48.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.383 0.611 . . . . 0.0 109.433 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -45.97 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.035 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 pt -71.8 6.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.47 -81.37 0.33 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.26 -0.971 . . . . 0.0 112.98 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.424 HG23 ' CD1' ' A' ' 27' ' ' TYR . 2.2 t -23.9 96.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.89 1.276 . . . . 0.0 114.236 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.08 -10.19 24.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.541 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' HB3' ' O ' ' B' ' 47' ' ' HIS . 41.3 mt -78.66 122.01 84.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.87 -42.77 60.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.954 2.436 . . . . 0.0 112.798 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -66.77 -39.64 93.62 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.769 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -69.02 -28.91 67.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.617 ' HG2' HG21 ' A' ' 50' ' ' ILE . 35.3 mt-30 -68.2 -63.16 1.11 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.457 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -39.73 -46.58 1.92 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.148 0.905 . . . . 0.0 111.65 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -54.37 -54.19 43.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.51 -45.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.732 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.92 81.51 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.87 -46.54 87.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.115 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -65.15 -36.72 85.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.071 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.779 HD13 HD13 ' A' ' 50' ' ' ILE . 9.2 mt -60.89 -42.21 97.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.28 -40.65 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.506 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.27 -47.21 92.19 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.698 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.67 -44.05 93.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.238 . . . . 0.0 111.309 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -61.04 -45.23 95.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.49 -45.78 82.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.036 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -59.96 -41.82 92.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 p -71.55 -18.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 111.195 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -91.68 -6.0 52.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.16 0.505 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.707 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -54.58 45.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.153 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.48 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -69.5 -47.41 63.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.098 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.7 mt -71.07 -28.4 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.83 -15.13 7.38 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.261 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -31.65 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.3 pt -127.36 21.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.053 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.49 50.45 35.82 Favored Glycine 0 CA--C 1.52 0.387 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.364 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -120.36 12.56 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.906 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -53.51 -22.71 8.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -62.43 -19.7 63.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -50.28 -36.42 31.44 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.4 -49.77 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.321 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.91 -19.62 61.0 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.828 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.15 17.49 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.13 -26.12 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.245 0.545 . . . . 0.0 110.151 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.453 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 17.0 m-70 -69.28 -19.37 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.591 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.0 OUTLIER -110.06 1.71 19.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.477 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.21 42.81 95.53 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 13.9 m95 -88.2 18.72 4.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.508 . . . . 0.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.496 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.7 98.8 7.12 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.85 -21.88 61.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.785 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.74 -61.63 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.796 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -69.69 -24.87 63.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.42 -24.61 67.69 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.099 0.476 . . . . 0.0 110.183 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 m -72.8 -16.92 61.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.465 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -110.45 21.21 16.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 tt -78.46 155.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 19.2 p -104.78 172.26 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 0.0 110.424 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -82.95 13.46 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.032 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.408 ' HA ' ' OE2' ' B' ' 65' ' ' GLU . 35.9 mt-10 -126.08 34.7 4.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.527 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -132.92 -40.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.32 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.478 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 66.5 mt -52.99 -46.68 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.12 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.491 ' CD ' ' HZ2' ' B' ' 75' ' ' LYS . 2.5 pm0 -40.58 -41.43 1.47 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.456 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.0 tt0 -60.01 -30.75 69.36 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.37 -3.37 58.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.6 -10.34 23.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.276 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.1 t -82.86 71.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -100.44 12.15 37.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 0.0 110.181 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.452 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 16.5 t70 -91.81 135.08 27.93 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.782 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.07 -55.17 3.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.054 2.502 . . . . 0.0 113.161 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.26 90.45 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . 0.452 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 49.8 m170 -58.32 -43.99 88.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.314 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.491 ' HZ2' ' CD ' ' B' ' 65' ' ' GLU . 26.0 mtmt -66.02 -42.83 89.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.406 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.86 -50.76 70.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.503 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.22 -45.04 80.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.654 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.36 -42.18 98.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.777 0.323 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.64 -37.12 82.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -72.78 -36.32 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.248 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.9 m -64.3 -31.97 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.857 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.14 -30.09 67.89 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.175 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -87.26 -59.29 2.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.955 179.423 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.577 0.227 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.28 -40.08 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.692 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -47.01 81.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.785 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.93 -36.78 85.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.007 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -67.58 -44.95 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.215 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.01 -22.47 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.512 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.55 -36.12 33.46 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -54.22 -32.35 55.62 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 pt -105.89 -0.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt 64.07 44.82 4.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 112.382 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.5 mmt -121.08 23.96 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -58.39 -23.18 56.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.971 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -82.93 -0.3 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.262 -0.899 . . . . 0.0 111.462 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 66.7 m-85 -97.58 2.74 50.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.306 . . . . 0.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 m -63.52 -30.91 71.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.354 0.597 . . . . 0.0 110.373 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -68.05 4.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.09 -43.65 2.53 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 30.4 m-85 -55.49 -46.82 76.86 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.56 0.695 . . . . 0.0 110.134 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.494 ' SD ' HG23 ' A' ' 37' ' ' THR . 22.9 mmt -64.34 -39.94 94.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.329 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.68 -25.15 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.723 0.297 . . . . 0.0 111.747 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -9.57 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.55 -4.05 30.97 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.255 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -89.01 75.76 7.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.413 0.625 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.494 HG23 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -99.14 3.91 46.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.831 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' HB1' ' OE1' ' A' ' 40' ' ' GLU . . . -153.08 161.24 42.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.01 -44.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' OE1' ' HB1' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -59.57 -40.36 87.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.903 0.32 . . . . 0.0 111.417 -178.37 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -69.39 -38.74 78.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.797 0.332 . . . . 0.0 110.19 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 45' ' ' MET . 75.5 t -61.28 -35.57 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.22 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.47 -12.3 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.953 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -82.49 -29.22 30.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.899 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.9 ptp -58.92 167.2 1.68 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.177 0.513 . . . . 0.0 111.644 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -119.33 175.12 5.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.244 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.6 -44.22 85.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.67 -22.84 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.632 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -34.86 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.806 HD13 HD13 ' A' ' 68' ' ' LEU . 93.0 mt -56.23 -35.26 41.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.833 0.825 . . . . 0.0 111.001 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 3.1 mtpp -83.61 -38.66 21.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.518 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -62.56 -36.03 81.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.25 -0.08 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.24 -81.31 0.26 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.64 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 21.3 t -28.51 97.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.71 -4.04 34.49 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.858 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 80.1 mt -83.29 119.88 74.77 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 11.5 Cg_endo -53.28 -48.17 23.48 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.599 2.866 . . . . 0.0 114.11 -177.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -65.42 -37.48 93.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.399 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.504 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 4.2 m-70 -65.94 -27.46 68.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 109.111 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 31.3 mt-30 -69.27 -64.02 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.11 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -37.93 -44.43 0.78 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.73 -46.03 90.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.979 0.419 . . . . 0.0 110.917 -178.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.2 mt -70.58 -50.49 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.11 78.41 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.78 -45.67 85.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.197 0.523 . . . . 0.0 110.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -65.7 -28.64 69.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.143 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.806 HD13 HD13 ' A' ' 50' ' ' ILE . 14.0 mt -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.424 -0.172 . . . . 0.0 110.581 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.1 mt -53.95 -38.71 65.23 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.428 0.455 . . . . 0.0 110.581 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.55 -45.47 94.63 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.505 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.73 -45.32 93.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 0.0 111.046 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -58.74 -42.84 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.214 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.24 -41.1 61.85 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.865 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -65.12 -38.11 89.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.807 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.2 -16.13 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.802 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -99.62 1.36 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.98 -54.11 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.081 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.81 64.67 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.062 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -71.16 -53.39 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.329 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.406 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 15.1 mt -57.6 -29.31 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.406 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.93 -24.76 25.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.395 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.25 57.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.677 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -120.41 23.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.03 34.0 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.056 -0.975 . . . . 0.0 113.644 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.88 14.14 24.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.02 0.438 . . . . 0.0 110.794 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -50.36 -31.03 13.6 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.554 179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -66.49 -8.09 24.02 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' B' ' 69' ' ' VAL . 0.6 OUTLIER -89.77 -22.13 22.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.496 ' O ' HG22 ' B' ' 46' ' ' VAL . 32.1 tt0 -55.99 -24.94 41.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.195 0.522 . . . . 0.0 110.983 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.54 -49.9 73.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.051 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.81 -5.13 81.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.062 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 30.4 mt -95.1 16.72 15.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.557 -0.379 . . . . 0.0 111.369 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 42' ' ' GLU . 54.3 t -96.18 -41.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.107 -0.371 . . . . 0.0 111.661 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' A' ' 57' ' ' LEU . 9.6 m-70 -69.62 0.47 5.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.574 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 5.3 m-20 -112.2 1.93 16.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 88.75 22.59 38.86 Favored Glycine 0 C--N 1.319 -0.405 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.824 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.518 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 43.8 m95 -85.6 40.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.737 0.78 . . . . 0.0 109.319 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.21 -29.38 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.338 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -114.77 127.25 55.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.87 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.1 -20.99 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.532 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.56 -41.26 94.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 0.0 110.094 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -77.67 -28.04 51.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -15.83 61.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.594 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -79.35 -8.4 59.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.052 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.83 18.11 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.882 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.8 tt -75.57 150.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.317 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.5 p -112.73 173.91 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.06 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -67.44 -26.08 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.65 -55.77 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.047 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -52.91 -42.07 65.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.477 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.9 mt -54.46 -60.26 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.36 -37.29 2.21 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 45.8 mt-10 -59.34 -34.7 72.68 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.4 -0.68 42.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 0.0 111.53 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.64 4.38 37.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.299 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' B' ' 41' ' ' TYR . 2.7 t -85.81 63.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.0 110.073 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -98.79 49.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.356 0.598 . . . . 0.0 110.533 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 7.5 t70 -136.28 131.8 18.75 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.486 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.25 -53.68 5.48 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.964 2.443 . . . . 0.0 113.202 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.85 92.9 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 56.2 m170 -57.96 -45.92 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.338 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -56.5 -51.69 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.43 -43.87 79.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 2.0 tt -61.75 -45.9 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.03 -40.87 86.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.71 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.31 -38.82 88.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.425 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -65.28 -35.19 80.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 95.1 mt -55.99 -45.9 78.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.41 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -67.48 -44.72 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.491 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.684 0.278 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.22 -37.58 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.778 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -44.25 93.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.64 -32.32 70.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.301 0.572 . . . . 0.0 111.331 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -77.17 -29.31 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.878 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.8 -24.42 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -41.86 45.69 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.631 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -32.35 65.38 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.591 HG23 ' OG ' ' A' ' 67' ' ' SER . 11.9 pt -99.16 1.23 10.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.62 49.19 5.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.691 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mmt -131.84 42.67 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -62.48 -24.95 67.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -73.01 -0.91 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.532 -0.73 . . . . 0.0 112.452 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.472 ' HH ' HG11 ' A' ' 55' ' ' VAL . 11.2 m-85 -94.42 -2.85 51.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.705 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.48 -40.21 96.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.466 0.651 . . . . 0.0 109.486 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -87.72 44.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.939 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -154.25 -54.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.111 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.37 -40.07 89.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.464 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.1 mtt -76.41 -15.41 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.287 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.76 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.334 0.588 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.83 0.72 54.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.89 -8.16 53.83 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.941 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -89.13 74.6 8.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.409 0.623 . . . . 0.0 109.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.02 5.75 50.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.008 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' HG21 ' A' ' 42' ' ' VAL . . . -150.16 155.43 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.565 0.221 . . . . 0.0 110.722 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.36 -42.25 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' OE1' ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -61.74 -28.66 69.59 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.204 -178.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -84.36 -31.63 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.429 . . . . 0.0 110.014 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.5 t -62.48 -37.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -75.31 -7.66 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.649 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 77.7 mt-30 -85.97 -25.21 26.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.302 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.1 ptp -70.62 179.99 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.061 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -140.84 178.86 7.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -52.39 -43.31 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.3 -42.66 91.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.804 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' O ' HG12 ' A' ' 53' ' ' ILE . 3.5 m-20 -53.11 -47.2 68.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.942 0.401 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 68' ' ' LEU . 96.1 mt -54.01 -42.23 53.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 C-N-CA 123.907 0.883 . . . . 0.0 111.014 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -79.73 -18.89 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -84.91 -40.16 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.727 0.299 . . . . 0.0 110.721 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 49' ' ' ASP . 17.9 pt -80.8 16.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 111.499 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.83 -125.25 6.24 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.829 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.472 HG11 ' HH ' ' A' ' 27' ' ' TYR . 3.1 t 39.19 61.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.385 0.697 . . . . 0.0 111.998 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -22.32 63.03 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.88 125.95 87.61 Favored Pre-proline 0 N--CA 1.464 0.257 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.54 -42.79 51.15 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.137 2.558 . . . . 0.0 113.174 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.521 ' HA3' ' CB ' ' B' ' 48' ' ' ASN . . . -68.38 -29.16 73.01 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.757 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -69.16 -34.89 75.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -67.97 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.534 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -40.03 -44.14 1.69 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.209 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 22' ' ' ILE . 39.4 ttm180 -59.74 -49.54 77.32 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.307 0.575 . . . . 0.0 110.125 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.09 -43.63 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.454 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.23 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.93 -45.25 78.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 122.175 0.988 . . . . 0.0 109.046 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.591 ' OG ' HG23 ' A' ' 22' ' ' ILE . 9.4 m -71.43 -17.52 62.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.482 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.912 ' CD1' HD13 ' A' ' 50' ' ' ILE . 24.8 mt -83.3 -37.05 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.69 -44.02 85.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.49 -44.23 98.27 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.0 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.85 -42.42 93.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.706 0.289 . . . . 0.0 110.686 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.489 ' O ' HG12 ' A' ' 75' ' ' VAL . 77.7 mttt -63.87 -47.19 81.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.277 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.6 -39.76 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.741 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.6 p -91.42 -11.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.439 . . . . 0.0 110.646 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -91.95 -24.02 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.976 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -55.16 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.66 40.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.065 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TRP . . . . . 0.46 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 41.2 t90 -78.14 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.988 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.46 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 15.5 mt -57.15 -28.83 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.552 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 3.3 ttp-105 -53.66 -15.89 1.39 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 177.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -35.91 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 109.821 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 pt -124.01 25.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.31 45.77 44.44 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.85 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.21 17.15 11.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.993 0.397 . . . . 0.0 111.797 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.552 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 4.8 pm0 -63.84 -18.57 64.28 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.818 0.342 . . . . 0.0 111.512 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 40' ' ' ARG . 26.6 mtm180 -71.05 -1.56 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -112.63 -11.56 13.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -48.17 -58.99 3.76 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -45.16 -39.9 6.58 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.455 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.14 92.9 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -72.89 -41.45 64.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.463 0.173 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.73 -33.39 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -63.35 -14.88 54.76 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 111.575 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.521 ' CB ' ' HA3' ' A' ' 59' ' ' GLY . 95.9 m-20 -113.97 11.96 17.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 10.79 80.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.253 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.56 48.57 1.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.41 0.624 . . . . 0.0 109.678 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -105.77 -12.22 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.575 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -88.65 112.66 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.64 -30.04 66.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -73.08 -52.48 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.707 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -19.61 62.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.799 0.333 . . . . 0.0 110.185 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.69 -17.66 61.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -73.1 -13.02 61.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -106.74 20.35 19.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.67 0.748 . . . . 0.0 109.668 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.7 tt -78.28 147.9 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.934 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.1 p -107.24 165.68 11.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.864 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.414 ' HG2' ' HD2' ' B' ' 75' ' ' LYS . 5.7 tt0 -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' B' ' 65' ' ' GLU . 26.5 mt-10 -75.68 -41.14 54.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.067 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.02 -47.92 67.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.88 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.44 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 91.0 mt -52.79 -54.21 37.42 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 110.044 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' HG2' ' B' ' 70' ' ' GLN . 2.1 tt0 -45.07 -46.78 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.355 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.84 -14.7 63.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.954 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.67 1.74 53.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 110.525 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.16 -15.0 36.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.408 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 8.5 t -85.85 74.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.23 0.538 . . . . 0.0 110.122 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . 0.462 ' HG2' ' HG3' ' B' ' 65' ' ' GLU . 46.0 mt-30 -90.86 -16.28 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.12 129.12 93.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.711 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.38 -47.2 17.72 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.183 2.588 . . . . 0.0 113.539 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.8 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.213 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -59.03 -46.26 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . 0.414 ' HD2' ' HG2' ' B' ' 61' ' ' GLU . 49.7 mtmt -61.34 -49.18 78.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.0 0.429 . . . . 0.0 109.976 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -55.44 -46.83 76.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.9 -45.8 93.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.466 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -46.65 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.748 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mp -57.43 -37.22 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.915 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 -36.96 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 110.45 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -35.67 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.245 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.17 -40.9 91.58 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -67.57 -45.48 75.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.215 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 CA--C 1.531 0.236 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.357 179.404 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.952 0.406 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG11 HD13 ' A' ' 19' ' ' LEU . 2.2 t -48.92 -35.15 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.926 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.68 83.76 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.603 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.47 -38.8 88.6 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.3 0.375 . . . . 0.0 111.227 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.639 ' O ' HG12 ' A' ' 22' ' ' ILE . 15.4 t90 -67.64 -54.3 20.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 0.0 109.943 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.498 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 13.1 mt -58.65 -32.56 69.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.269 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -33.43 24.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -67.21 -33.33 75.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 18' ' ' TRP . 25.9 pt -89.46 8.91 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.272 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HZ3' ' CG ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER 64.09 29.13 14.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.179 178.552 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.54 ' HE2' ' CD2' ' A' ' 60' ' ' HIS . 38.5 mmt -103.09 21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -33.25 -58.4 0.39 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.241 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -59.12 -12.39 4.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.602 ' CE1' HG23 ' A' ' 55' ' ' VAL . 11.3 m-85 -82.83 -33.17 27.22 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.395 -0.816 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.493 ' HA ' HD12 ' A' ' 19' ' ' LEU . 2.2 m -40.86 -38.79 1.0 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.32 0.581 . . . . 0.0 112.357 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.82 -52.64 64.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.018 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -72.27 -36.29 68.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.269 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.37 -62.72 1.52 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.773 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.7 mtt -57.06 -33.86 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.792 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.8 66.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.83 15.15 7.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.004 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.3 -12.46 62.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.837 -0.697 . . . . 0.0 114.416 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -88.48 60.0 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.784 0.792 . . . . 0.0 110.55 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -25.33 36.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.228 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.8 144.86 46.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -43.44 -50.96 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.025 -0.988 . . . . 0.0 113.633 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -51.68 -32.12 28.5 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -87.74 -32.01 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.496 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.85 -36.58 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.6 -9.53 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.326 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 74.7 mt-30 -81.53 -58.17 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.5 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.494 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -46.56 116.1 1.21 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -70.42 -152.57 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.956 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -77.16 -38.01 52.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.76 -55.84 22.73 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.494 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 4.0 m-20 -50.72 -43.36 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.674 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.987 HD13 HD13 ' A' ' 68' ' ' LEU . 95.6 mt -51.66 -51.38 27.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 121.809 0.814 . . . . 0.0 110.996 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -68.6 -31.77 71.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.876 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.81 -54.33 9.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.0 pt -43.98 -27.61 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.35 39.38 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 119.919 -1.134 . . . . 0.0 113.401 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.602 HG23 ' CE1' ' A' ' 27' ' ' TYR . 67.4 t -120.26 102.5 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.48 -12.96 15.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.695 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' CG ' ' B' ' 47' ' ' HIS . 50.5 mt -78.29 125.95 84.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.07 -40.24 72.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.439 2.092 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.35 -42.89 99.69 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.797 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.54 ' CD2' ' HE2' ' A' ' 24' ' ' MET . 52.2 m170 -71.34 -19.4 62.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.902 0.851 . . . . 0.0 109.564 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' HG3' HG12 ' A' ' 55' ' ' VAL . 24.7 mt-30 -75.81 -5.06 44.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.186 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -112.13 -41.14 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.203 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -56.58 -40.35 75.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.437 178.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -80.74 -49.01 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.591 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.3 -51.51 69.07 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -54.99 -54.18 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.172 0.51 . . . . 0.0 110.511 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.477 ' CB ' ' HE1' ' A' ' 18' ' ' TRP . 11.9 m -61.38 -37.91 85.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.326 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.987 HD13 HD13 ' A' ' 50' ' ' ILE . 11.7 mt -59.65 -41.03 89.63 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.435 0.159 . . . . 0.0 110.694 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 76.2 mt -56.29 -42.19 77.14 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.75 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.26 -47.41 85.15 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.391 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.59 -43.85 93.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -61.66 -36.45 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.1 -36.92 39.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.713 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -58.97 -44.22 91.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.248 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.2 p -71.88 -17.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.726 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.83 -19.16 29.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -81.82 83.0 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.435 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.423 179.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.0 38.33 1.86 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 111.851 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -66.99 -59.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.266 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.24 -23.24 61.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.146 0.498 . . . . 0.0 110.431 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.748 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.45 -21.65 64.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.132 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.09 -47.24 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.665 0.269 . . . . 0.0 111.211 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.6 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.6 HD13 ' OG1' ' B' ' 81' ' ' THR . 11.7 pt -95.63 -12.81 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 37.37 8.51 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mp -123.06 4.9 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' B' ' 40' ' ' ARG . 10.3 pm0 -43.89 -38.95 3.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.673 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' B' ' 39' ' ' GLU . 46.7 mtm180 -65.62 -7.7 16.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -96.5 -35.45 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 118.706 -0.664 . . . . 0.0 111.625 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -12.53 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.543 1.152 . . . . 0.0 113.436 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -31.16 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.01 -35.66 64.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.375 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 mp -91.23 16.1 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 74.2 t -101.69 -36.92 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.454 ' CG ' HD21 ' A' ' 57' ' ' LEU . 19.0 m170 -72.05 -1.64 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.213 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -116.15 -7.38 11.86 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.77 10.42 57.76 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.675 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -98.35 22.91 9.04 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.218 -0.578 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' B' ' 46' ' ' VAL . 9.7 p-10 -85.32 26.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.401 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -142.97 129.47 20.13 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.204 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.0 20.48 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' B' ' 52' ' ' ASP . 23.6 mm-40 -90.18 -40.36 12.25 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.335 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.7 -12.96 7.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.458 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.82 -23.66 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.401 0.62 . . . . 0.0 109.846 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.61 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -128.85 29.72 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 109.936 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 tt -71.07 151.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.592 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -105.37 168.35 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.102 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.29 -45.66 46.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.291 0.567 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.89 16.46 0.53 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.62 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -103.26 -55.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -46.23 -32.8 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.11 -28.67 70.23 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.26 4.91 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.263 0.554 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.0 -13.01 57.59 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.33 64.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.137 0.494 . . . . 0.0 109.878 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -90.24 -28.2 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.181 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.86 136.94 87.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.964 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.7 -46.36 30.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.663 2.908 . . . . 0.0 113.713 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.89 96.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 111.228 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -66.43 -43.69 84.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.133 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -62.63 -46.59 87.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.049 0.452 . . . . 0.0 109.928 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -61.73 -35.53 78.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.859 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -46.74 80.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.97 -37.19 86.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.93 -30.58 71.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 110.061 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.98 -39.33 79.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.727 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.6 ' OG1' HD13 ' B' ' 36' ' ' ILE . 1.3 m -64.83 -26.83 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.693 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 86' ' ' LYS . 91.5 mt -63.45 -26.91 68.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -107.07 -25.1 11.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.14 -56.47 5.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.994 0.426 . . . . 0.0 110.315 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.3 m -92.43 -43.79 9.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.915 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' B' ' 82' ' ' LEU . 15.5 tttm . . . . . 0 C--O 1.251 1.132 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.228 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.799 0.333 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 37' ' ' THR . 91.7 t -62.86 -35.52 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.238 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 28.8 mt-10 -63.59 -33.77 76.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.638 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -71.72 -43.86 65.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.39 -32.19 69.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.03 -30.32 66.49 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.011 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -55.95 -42.23 75.88 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.189 0.306 . . . . 0.0 111.187 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -2.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 23' ' ' LYS . 24.5 mmtp 64.08 26.95 14.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.803 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mmt -108.95 32.61 4.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -62.45 -21.46 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.392 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -78.06 15.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.696 -0.627 . . . . 0.0 111.689 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -119.18 3.14 11.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.603 0.24 . . . . 0.0 110.885 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 32' ' ' MET . 5.4 m -62.18 -31.09 71.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.23 0.538 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.61 -45.39 89.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.397 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -71.04 -38.41 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.19 -48.15 76.94 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.344 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.456 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 36.1 mmt -64.55 -34.72 78.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.4 71.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.283 . . . . 0.0 111.47 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -9.17 49.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.406 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.58 2.79 58.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.59 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -95.86 69.99 2.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.637 0.732 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.601 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.1 p -77.74 -68.65 0.6 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.862 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' H ' ' HD3' ' A' ' 41' ' ' LYS . . . -85.75 169.21 13.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 112.169 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.3 mm -50.7 -48.28 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.312 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.9 mp0 -53.7 -39.48 65.23 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.802 0.334 . . . . 0.0 111.808 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' ' 38' ' ' ALA . 2.9 mptp? -74.34 -33.89 63.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.4 . . . . 0.0 110.664 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 45' ' ' MET . 99.4 t -68.53 -41.49 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.5 m -77.03 -7.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.32 -22.03 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.695 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 13.7 ptp -65.87 179.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.355 0.598 . . . . 0.0 111.405 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -136.25 178.03 7.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.611 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -56.53 -44.17 80.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.564 0.221 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.08 -37.94 75.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 53' ' ' ILE . 4.3 m-20 -60.33 -41.71 94.11 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.695 ' CD1' ' SD ' ' A' ' 45' ' ' MET . 47.8 mm -60.74 -25.99 36.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.295 0.569 . . . . 0.0 110.993 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -91.02 -15.41 29.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -99.14 -23.42 15.25 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.523 0.202 . . . . 0.0 111.449 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 49' ' ' ASP . 36.8 pt -72.32 9.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.815 0.341 . . . . 0.0 111.918 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.74 0.41 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.702 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 60' ' ' HIS . 38.6 t -39.03 108.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -108.63 -8.06 15.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.109 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.549 HD11 ' O ' ' B' ' 47' ' ' HIS . 25.4 mt -79.36 128.25 76.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.11 -47.93 18.18 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 113.243 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.78 -39.62 98.19 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.713 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.406 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -66.36 -32.3 73.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.493 0.664 . . . . 0.0 109.373 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.589 ' HG2' HG21 ' A' ' 50' ' ' ILE . 34.2 mt-30 -72.0 -58.43 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.061 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -38.8 -47.53 1.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.398 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -55.37 35.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.272 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 50' ' ' ILE . 72.7 mt -56.6 -44.35 80.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.609 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.71 -51.04 71.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -67.53 -26.94 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.786 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.663 HD11 HD13 ' A' ' 50' ' ' ILE . 11.5 mt -65.77 -34.05 77.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.2 -41.39 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.66 -41.61 97.66 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.859 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.31 -43.78 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.696 0.284 . . . . 0.0 111.451 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 75' ' ' VAL . 85.4 mttt -68.25 -40.8 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.432 . . . . 0.0 110.112 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -58.75 -45.21 90.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.623 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.2 p -71.27 -10.38 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -100.49 -6.93 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.956 0.407 . . . . 0.0 110.337 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 m -91.16 126.29 36.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.83 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.779 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -145.29 26.85 1.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.766 0.317 . . . . 0.0 110.708 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -53.28 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 -36.22 61.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.738 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.53 -51.03 60.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.517 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -83.56 31.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.612 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -111.28 2.29 17.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.51 -15.59 28.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.104 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.31 15.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.86 52.96 24.01 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.287 -0.869 . . . . 0.0 113.368 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.88 16.26 10.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.051 0.425 . . . . 0.0 111.115 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -57.44 -20.21 28.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.725 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.12 -14.03 62.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.982 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -98.21 -17.87 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -41.56 -65.73 0.41 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -42.56 -39.27 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.41 -39.42 87.36 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.13 -55.92 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 64.0 t -46.1 -49.23 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.549 ' O ' HD11 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.09 -47.12 68.79 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 120.615 0.245 . . . . 0.0 111.309 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.609 ' ND2' ' HA ' ' B' ' 67' ' ' ALA . 23.3 m-80 -62.0 -80.73 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.93 46.33 0.21 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.896 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -135.47 63.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.03 0.443 . . . . 0.0 110.343 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.91 -4.9 39.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.205 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -128.89 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.436 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.31 -18.71 29.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.93 -20.95 60.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -101.24 -15.7 17.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.15 -20.03 66.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -10.66 60.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.72 22.14 16.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.152 0.501 . . . . 0.0 110.195 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 tt -79.61 152.23 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 79.7 p -121.97 172.8 7.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.95 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.68 -32.47 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.33 -47.76 69.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.59 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -53.29 -49.0 67.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.246 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.7 mt -54.29 -54.39 40.91 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.03 -48.62 11.66 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.385 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.12 -25.21 66.88 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . 0.609 ' HA ' ' ND2' ' B' ' 48' ' ' ASN . . . -84.42 -6.93 59.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.72 -15.7 21.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.578 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 13.9 t -86.47 81.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.135 0.493 . . . . 0.0 110.009 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.44 -16.85 20.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.7 126.89 93.19 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.06 -49.87 15.6 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.31 2.673 . . . . 0.0 113.261 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.38 77.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.474 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -60.88 -41.88 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -62.95 -54.41 38.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.051 0.453 . . . . 0.0 110.035 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -55.28 -45.33 76.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.881 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.82 -48.89 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.5 -44.19 96.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.647 0.26 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.04 -44.71 79.08 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.06 -42.67 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.455 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.95 -31.05 71.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.017 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.49 -45.58 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.82 -47.68 68.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.081 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.1 -47.64 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.782 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -79.18 -35.38 41.98 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.415 -179.663 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.25 -38.76 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.814 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.48 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.601 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 54.1 mt-10 -61.67 -32.16 72.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.468 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -74.09 -37.89 64.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -80.05 -31.86 39.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.083 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 12.6 pt-20 -75.34 -37.23 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.01 -0.431 . . . . 0.0 111.878 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -56.45 -37.95 70.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.675 HG23 ' OG ' ' A' ' 67' ' ' SER . 12.4 pt -92.66 -0.36 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp 66.56 44.99 2.16 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.353 0.597 . . . . 0.0 112.133 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mmt -127.71 26.81 5.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.77 -17.91 63.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.662 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -85.16 -3.95 58.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 118.997 0.817 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.91 -4.68 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.101 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -54.24 -43.3 70.77 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.713 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -55.52 -44.54 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.533 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -44.57 81.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 110.408 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -56.49 -51.06 69.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.665 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.9 mtt -66.46 -31.18 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.127 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.09 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.092 0.473 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.4 -15.48 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.876 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.8 -5.7 14.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.304 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -89.97 71.75 7.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.085 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.13 0.92 56.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.023 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -151.12 157.89 43.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.07 -41.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 mp0 -57.45 -34.34 68.89 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.768 0.318 . . . . 0.0 111.096 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -80.3 -35.32 35.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.918 0.39 . . . . 0.0 110.047 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.3 t -60.61 -41.03 86.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.76 -9.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -84.35 -24.2 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.077 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 13.7 ptp -63.77 176.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.14 0.495 . . . . 0.0 111.299 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -129.15 169.16 15.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.74 -47.59 79.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.805 0.336 . . . . 0.0 111.515 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.83 -30.79 71.76 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.83 -29.24 68.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.634 0.254 . . . . 0.0 111.422 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 1.03 HD13 ' CD1' ' A' ' 68' ' ' LEU . 92.6 mt -61.75 -28.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.828 0.823 . . . . 0.0 110.966 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -89.88 -7.87 53.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.283 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -91.97 -38.33 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -73.92 23.1 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.82 -88.92 0.44 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.378 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -11.52 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.67 1.588 . . . . 0.0 114.798 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -92.29 -17.04 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.677 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.1 mt -76.95 123.7 87.41 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.347 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.32 -41.39 73.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.395 2.73 . . . . 0.0 113.549 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.69 -33.04 70.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.894 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -67.4 -32.93 74.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.59 -62.42 1.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.563 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' HZ1' ' CG ' ' B' ' 63' ' ' ASP . 0.0 OUTLIER -36.75 -50.89 0.86 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.198 177.487 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.409 HH22 ' C ' ' B' ' 49' ' ' GLY . 37.0 ttm180 -58.76 -52.72 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.099 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.8 mt -57.7 -44.43 85.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.233 0.333 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.48 87.79 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.319 0.581 . . . . 0.0 110.616 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.92 -44.7 96.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.739 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.675 ' OG ' HG23 ' A' ' 22' ' ' ILE . 3.7 m -67.18 -27.98 67.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.651 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 1.03 ' CD1' HD13 ' A' ' 50' ' ' ILE . 16.0 mt -69.72 -40.08 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.126 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.89 -36.79 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.37 86.46 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.914 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.32 -42.05 94.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.563 0.221 . . . . 0.0 111.478 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -64.9 -39.88 94.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.51 -41.66 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.26 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -65.71 -29.89 70.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.582 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.91 -12.21 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.678 . . . . 0.0 109.757 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -92.28 -8.96 43.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.955 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.5 m -76.6 114.72 15.65 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.093 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.763 -179.823 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -142.01 29.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.977 0.388 . . . . 0.0 111.317 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' B' ' 34' ' ' ARG . 0.7 OUTLIER -59.3 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.21 -27.83 69.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.208 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -73.0 -41.37 64.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.752 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' B' ' 42' ' ' GLU . 38.0 mt -74.7 -21.92 59.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.643 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.505 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -57.96 -19.97 34.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -38.94 75.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 pt -119.54 21.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.81 45.94 31.53 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.513 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.37 16.61 13.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.83 0.315 . . . . 0.0 111.254 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.505 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 6.8 pm0 -51.1 -28.02 9.64 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 -61.84 -19.15 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.724 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.87 -24.09 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.41 ' HB2' HD11 ' B' ' 33' ' ' LEU . 53.5 tt0 -51.26 -35.16 35.94 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.88 0.371 . . . . 0.0 111.262 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.24 -50.53 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.375 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -28.15 65.06 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.684 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.21 -53.55 29.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.773 0.286 . . . . 0.0 110.45 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 42' ' ' GLU . 84.3 t -46.0 -38.3 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -17.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 111.48 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.498 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 4.9 m-20 -110.82 9.58 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.409 ' C ' HH22 ' A' ' 63' ' ' ARG . . . 74.4 19.0 79.95 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.755 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -92.28 39.85 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -98.64 6.56 46.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.333 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -108.72 120.27 41.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.175 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.48 -26.78 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.868 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.89 -52.02 65.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.16 -25.54 47.32 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -65.94 -20.4 66.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 110.297 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -66.64 -14.77 62.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.112 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -128.89 38.21 3.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.339 0.59 . . . . 0.0 110.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.6 tt -84.51 141.21 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.466 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -94.93 164.12 13.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.79 -36.99 86.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.948 0.404 . . . . 0.0 110.333 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.78 -49.9 75.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.442 ' CG ' ' HZ1' ' A' ' 62' ' ' LYS . 1.3 t70 -58.32 -41.4 84.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.45 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 33.6 mt -54.24 -58.0 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.601 0.238 . . . . 0.0 110.747 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -45.6 -40.47 8.91 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.833 178.25 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.517 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 3.5 tm-20 -64.48 -28.65 69.81 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.355 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.81 2.06 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.415 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 -3.96 31.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.997 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.7 t -84.34 61.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.443 0.64 . . . . 0.0 110.053 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.52 46.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.416 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.05 131.02 19.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.8 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.59 -55.77 3.03 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.221 2.614 . . . . 0.0 113.239 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.4 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.676 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -57.25 -47.69 80.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -63.92 -46.43 84.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.39 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -58.22 -52.4 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.215 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.18 -42.47 98.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.964 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.44 -45.05 92.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.209 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.08 -39.38 81.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.77 -36.15 75.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -66.02 -34.13 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.654 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -83.07 -49.71 9.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.45 -59.23 5.68 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -80.36 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.377 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tttm . . . . . 0 C--O 1.252 1.193 0 O-C-N 123.663 0.602 . . . . 0.0 110.232 -179.356 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 t -53.7 -44.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.025 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.208 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.51 -37.7 85.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.334 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.426 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.5 t90 -66.04 -41.36 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.5 -20.58 62.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.787 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -81.17 -47.49 13.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.602 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -19.4 15.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 18' ' ' TRP . 2.7 pt -113.3 3.64 8.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 111.452 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 15.7 mmtp 57.25 46.56 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.189 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.36 25.87 9.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.72 -9.99 58.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.018 -1.447 . . . . 0.0 111.572 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -83.81 8.21 15.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 109.795 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -119.54 5.24 11.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.624 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -60.82 -38.92 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.557 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 47.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.729 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -150.94 -51.79 0.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.44 -40.12 77.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.751 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.457 ' SD ' HG23 ' A' ' 37' ' ' THR . 26.0 mmt -62.21 -40.93 97.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.697 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.13 -30.53 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.743 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.84 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.26 -5.43 52.46 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.098 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -89.38 78.96 7.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.196 0.522 . . . . 0.0 109.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.457 HG23 ' SD ' ' A' ' 32' ' ' MET . 3.1 p -103.32 2.97 34.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.505 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.45 149.49 34.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.227 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.62 -39.98 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 112.254 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -38.83 71.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.566 0.222 . . . . 0.0 111.42 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -79.04 -36.12 41.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.38 . . . . 0.0 110.397 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -58.33 -42.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.289 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.34 -9.0 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.703 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -84.13 -25.81 29.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.281 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 16.8 ptp -64.09 177.87 0.74 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.568 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 174.6 10.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -54.98 -46.65 75.13 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.86 -31.54 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -34.35 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.946 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.452 HD13 ' CD1' ' A' ' 68' ' ' LEU . 92.7 mt -58.48 -33.27 47.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.747 0.784 . . . . 0.0 110.984 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -79.0 -16.52 56.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.259 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -92.6 -30.48 15.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 0.0 111.261 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 pt -72.97 -0.29 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.0 2.46 23.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.683 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.12 82.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 117.821 0.81 . . . . 0.0 110.394 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -17.12 57.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.683 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 71.6 mt -78.71 118.03 69.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.672 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.49 -36.0 88.11 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.202 2.601 . . . . 0.0 113.962 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.55 -30.85 70.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.284 -0.96 . . . . 0.0 110.767 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -74.15 -32.71 63.24 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.67 -71.17 0.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.703 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -40.4 -41.44 1.39 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.032 0.833 . . . . 0.0 112.475 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -52.29 64.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.01 -46.95 92.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.495 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.54 -49.68 61.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.752 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.759 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.5 m -69.5 -28.51 66.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.607 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.452 ' CD1' HD13 ' A' ' 50' ' ' ILE . 75.9 mt -69.25 -30.33 68.44 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.093 0.473 . . . . 0.0 110.534 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.65 -45.62 93.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.173 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.66 92.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.893 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.72 -48.83 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -60.45 -44.37 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.937 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -35.85 78.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.709 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -66.81 -42.17 86.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.25 -13.31 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.247 0.546 . . . . 0.0 110.349 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -99.38 -4.03 32.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.418 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 m -84.36 132.15 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.271 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -134.12 19.46 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.536 0.208 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -57.54 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 110.336 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.789 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -69.05 -35.42 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.111 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.27 -16.96 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.652 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -65.22 -12.55 52.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.358 0.599 . . . . 0.0 109.944 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.63 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.088 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -128.17 19.73 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.074 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.57 42.59 58.17 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 113.397 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.37 17.44 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.949 0.374 . . . . 0.0 111.456 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 pm0 -54.22 -20.32 6.73 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.453 ' CE2' HG21 ' B' ' 69' ' ' VAL . 2.6 m-85 -91.81 -26.01 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.745 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -42.9 -63.84 0.73 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.87 -40.79 1.45 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.768 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.56 -34.24 63.35 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.481 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 9.8 mt -80.61 24.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.646 0.378 . . . . 0.0 111.662 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.55 -21.01 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.296 0.569 . . . . 0.0 110.397 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -85.56 0.5 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.757 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.542 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 1.7 m120 -118.55 0.44 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.21 29.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.128 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.481 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 66.8 m95 -100.2 23.17 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.621 0.724 . . . . 0.0 109.309 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.5 27.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.546 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' B' ' 50' ' ' TRP . 31.4 t70 -147.41 121.83 9.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.295 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.71 -33.41 75.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.427 ' HB2' ' OD2' ' B' ' 52' ' ' ASP . 48.9 mt-10 -61.61 -46.51 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.623 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.79 -40.16 63.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.43 -20.78 63.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -63.08 -22.66 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.97 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.78 24.89 11.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.345 . . . . 0.0 111.351 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.01 138.94 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 50.6 p -100.04 176.62 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.41 -23.25 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.32 -51.97 26.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 28.9 m-20 -53.02 -47.2 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.324 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.524 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 76.7 mt -47.03 -62.61 1.33 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.509 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -35.08 -36.73 0.06 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.509 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 7.7 mt-10 -53.25 -41.73 65.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.37 11.74 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.07 3.61 61.77 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.184 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 3.3 t -82.84 65.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.226 0.536 . . . . 0.0 109.992 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -100.01 -2.54 34.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.78 131.85 69.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.223 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.7 -49.53 14.43 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.051 2.501 . . . . 0.0 112.936 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.34 85.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -56.7 -46.48 81.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -62.48 -51.31 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 0.0 110.571 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 41.1 tpt85 -56.29 -48.67 76.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.629 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.72 -44.3 94.0 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -45.49 90.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.578 0.228 . . . . 0.0 110.65 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.78 -33.88 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -36.76 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.273 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -62.03 -32.78 73.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.715 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.368 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -79.76 -55.69 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.192 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp -52.14 -55.84 18.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m -77.54 -33.13 54.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.584 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.374 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.19 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 120.671 0.272 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.99 -41.78 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -51.81 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.6 -38.47 78.03 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 111.211 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -72.08 -47.9 48.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.377 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.87 -26.45 62.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.12 -35.99 61.66 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.323 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -32.99 69.62 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.36 -1.54 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 67.73 33.84 4.71 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.574 0.546 . . . . 0.0 111.937 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.1 mmt -117.31 24.42 11.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.24 -19.93 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.077 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -78.13 2.76 16.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.534 -0.729 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HH ' ' CD2' ' A' ' 60' ' ' HIS . 90.2 m-85 -106.44 -2.97 21.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.668 0.27 . . . . 0.0 111.328 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -57.58 -29.8 64.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.79 -47.9 81.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.259 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -78.23 -36.08 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.896 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.2 -49.24 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.99 -30.75 62.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.15 63.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.99 0.424 . . . . 0.0 110.723 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.71 -5.72 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.377 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.62 -0.86 52.77 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.217 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -94.14 75.11 4.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.399 0.619 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -84.82 -72.39 0.48 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.47 152.36 45.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -56.93 -35.75 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.85 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -60.12 -28.83 68.19 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 -179.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -85.09 -36.68 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 45' ' ' MET . 68.1 t -62.67 -40.4 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.3 m -73.13 -12.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 11.0 mm-40 -85.9 -18.63 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.3 ptp -66.75 -176.77 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -144.26 -175.4 4.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -56.76 -46.19 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.69 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.42 -43.31 75.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.634 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.76 -39.28 77.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.265 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.917 HD13 HD13 ' A' ' 68' ' ' LEU . 93.1 mt -56.15 -33.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 123.108 0.563 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -87.12 -38.27 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.409 0.623 . . . . 0.0 109.971 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -62.7 -34.68 77.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 pt -76.11 2.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.98 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.09 -75.22 0.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.456 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 t -28.37 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.26 -1.72 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.375 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 32.8 mt -90.02 126.96 55.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.244 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.76 -50.68 9.81 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.57 2.846 . . . . 0.0 114.346 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.73 -38.42 96.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.934 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 19.2 m80 -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.543 ' HG2' HG21 ' A' ' 50' ' ' ILE . 30.9 mt-30 -74.38 -59.18 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.055 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -33.92 -52.13 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.491 1.119 . . . . 0.0 112.553 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -56.01 24.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.116 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.7 -44.46 93.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.92 79.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.85 -49.44 76.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 110.289 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -65.16 -29.63 70.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.979 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.917 HD13 HD13 ' A' ' 50' ' ' ILE . 8.8 mt -66.0 -38.1 87.62 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.709 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.62 -37.45 78.66 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.14 -42.29 76.93 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.738 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.29 -43.78 98.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.301 . . . . 0.0 111.042 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 75' ' ' VAL . 66.7 mttm -62.94 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -38.93 79.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 110.676 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -63.63 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.65 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.6 p -71.89 -11.77 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.141 0.495 . . . . 0.0 111.048 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.2 -5.26 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.469 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 m -84.76 129.24 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.431 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.635 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.633 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.82 18.95 2.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.894 0.378 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -53.16 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.983 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.15 28.01 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -75.33 -48.58 22.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.99 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' B' ' 35' ' ' ALA . 42.8 mt -60.15 -35.54 75.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.305 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -7.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' B' ' 33' ' ' LEU . . . -77.65 -22.21 51.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.479 HD13 ' OG1' ' B' ' 81' ' ' THR . 8.1 pt -132.7 22.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.642 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.08 49.22 37.22 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.46 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.13 17.79 10.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pm0 -57.48 -21.11 35.3 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.74 -12.64 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.559 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.485 ' CE1' HG21 ' B' ' 69' ' ' VAL . 2.6 m-85 -95.16 -18.0 21.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -48.74 -59.96 3.12 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -45.16 -42.56 9.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.282 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.71 -42.81 53.24 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.241 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 73.5 mt -61.09 -52.52 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.047 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 99.2 t -51.82 -37.49 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -59.84 -55.63 31.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.684 0.278 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -55.33 -67.54 0.27 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.128 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 163.51 36.4 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.443 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 10.8 m95 -121.82 58.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -94.08 28.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.931 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -145.93 -173.13 4.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.007 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.93 -22.04 2.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.864 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.79 -58.5 7.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.155 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.42 0.02 56.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.465 . . . . 0.0 109.929 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 tp -75.97 -15.21 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.638 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -30.4 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.92 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -98.27 75.69 2.28 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.32 148.72 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.312 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -110.17 172.95 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -64.49 -31.98 73.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.176 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.89 -47.32 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.754 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -55.67 -49.08 73.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.093 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 80.6 mt -55.23 -57.99 9.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.453 0.168 . . . . 0.0 110.957 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -36.64 7.47 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.006 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -60.17 -27.47 67.15 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.55 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.27 1.22 57.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.916 0.388 . . . . 0.0 111.191 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.22 12.36 29.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.795 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.485 HG21 ' CE1' ' B' ' 41' ' ' TYR . 4.6 t -93.12 66.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 110.184 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -87.31 -9.2 55.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.94 131.98 78.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.28 -43.72 13.78 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.882 2.388 . . . . 0.0 113.119 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.45 94.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.9 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -62.1 -41.79 98.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -64.87 -54.29 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.13 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -53.77 -46.77 71.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.882 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -44.51 94.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.132 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -50.0 74.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.693 0.283 . . . . 0.0 110.496 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 mp -55.46 -43.46 75.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.177 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.83 -39.84 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.479 ' OG1' HD13 ' B' ' 36' ' ' ILE . 30.5 m -61.62 -38.64 88.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.383 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.58 -43.79 93.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.01 -46.59 80.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.132 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.05 -39.75 75.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.751 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 m -76.65 -43.63 37.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.935 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.29 0 O-C-N 123.805 0.691 . . . . 0.0 110.839 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.74 0.305 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -61.35 -33.25 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.516 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -51.16 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -63.99 -32.73 74.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.608 0.242 . . . . 0.0 111.251 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -64.5 -47.16 79.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.217 0.532 . . . . 0.0 109.705 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.37 -8.32 55.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.21 -41.57 15.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.754 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.478 ' O ' HG21 ' A' ' 22' ' ' ILE . 1.4 p -78.98 52.57 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -178.27 -15.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.504 1.122 . . . . 0.0 108.58 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HE3' ' OD2' ' B' ' 52' ' ' ASP . 71.1 mmtt 65.97 40.74 3.97 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.1 mmt -113.57 24.65 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.455 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -26.49 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.706 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -80.91 -8.38 59.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.217 0.917 . . . . 0.0 111.621 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -86.86 -3.52 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.766 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -63.13 -38.87 92.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.324 0.583 . . . . 0.0 109.709 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.33 49.67 1.61 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.413 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.03 -51.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.313 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.83 -39.89 94.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 41.1 mtt -75.62 -9.05 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.436 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.05 -10.15 31.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.07 -3.97 40.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.697 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.62 -7.33 29.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.959 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -88.35 80.08 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 4.96 41.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.168 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' O ' HG21 ' A' ' 42' ' ' VAL . . . -153.44 159.32 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 111.123 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.51 -41.64 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' OE1' ' HB1' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -62.32 -32.04 72.74 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.168 -0.333 . . . . 0.0 111.211 -178.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -80.32 -30.96 38.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.999 0.428 . . . . 0.0 110.1 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 45' ' ' MET . 64.4 t -63.35 -38.44 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.805 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.04 -7.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.334 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.75 -28.88 36.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.0 ptp -68.64 -176.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -135.13 -177.56 4.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -57.86 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.12 -26.62 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.04 -39.77 83.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.092 0.472 . . . . 0.0 110.663 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.758 HD13 HD13 ' A' ' 68' ' ' LEU . 92.9 mt -59.03 -33.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 123.24 0.616 . . . . 0.0 111.024 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -78.89 -13.57 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.542 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -90.94 -39.06 12.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.953 0.406 . . . . 0.0 110.205 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 pt -78.47 16.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.863 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.22 -98.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.508 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -11.0 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.506 1.522 . . . . 0.0 114.725 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.05 -17.18 25.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 110.988 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 47' ' ' HIS . 57.9 mt -82.09 125.48 77.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -60.49 -37.57 79.79 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.953 2.436 . . . . 0.0 112.746 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.529 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -68.91 -38.01 84.35 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -66.81 -29.81 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -67.12 -64.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.646 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -40.15 -45.06 1.94 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.15 0.906 . . . . 0.0 112.649 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.86 -53.68 55.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.413 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.96 -46.49 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.033 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.72 84.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.37 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -57.65 -48.34 79.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -77.45 -7.2 55.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.791 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -89.29 -40.84 12.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.032 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.77 -36.08 78.07 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.94 93.45 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.714 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.43 -44.09 80.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.733 0.267 . . . . 0.0 110.671 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -61.76 -44.23 97.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.2 -41.93 85.0 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.613 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -62.46 -39.7 94.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.754 0.312 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.74 -13.86 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.431 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -10.56 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.083 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.7 m -86.48 131.32 34.21 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.071 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.492 -179.73 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -127.91 29.1 5.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.649 0.261 . . . . 0.0 111.092 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -53.0 62.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.418 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.55 67.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -68.44 -55.99 9.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.512 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.428 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 22.8 mt -61.38 -28.25 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.554 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 3.4 tpp180 -55.04 -21.92 14.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.626 0.371 . . . . 0.0 111.463 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.54 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.235 0.541 . . . . 0.0 110.372 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 pt -120.07 21.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.451 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.44 38.83 28.24 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.981 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.52 16.57 16.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.255 0.527 . . . . 0.0 110.587 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -54.94 -27.63 44.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.593 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -70.31 -3.13 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.853 0.359 . . . . 0.0 111.841 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.66 -19.65 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.347 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 46' ' ' VAL . 73.0 tt0 -53.9 -27.54 31.05 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.714 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.55 -47.1 85.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.045 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.31 -31.28 59.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.3 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.54 19.3 0.37 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.9 t -101.9 -24.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.496 0.665 . . . . 0.0 110.253 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.413 ' HA ' HD13 ' A' ' 57' ' ' LEU . 25.1 m80 -75.7 -16.52 60.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.365 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.592 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.1 OUTLIER -101.15 -8.06 22.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.25 23.22 45.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.738 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.592 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 69.1 m95 -85.16 42.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.222 0.534 . . . . 0.0 110.08 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -7.98 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.64 0.734 . . . . 0.0 109.69 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.467 ' OD2' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -110.99 147.55 34.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.99 -21.21 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.51 -57.32 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.556 0.217 . . . . 0.0 111.539 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -71.56 -24.61 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.29 -19.52 65.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.217 0.532 . . . . 0.0 110.076 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.5 m -72.78 -3.33 24.68 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.091 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.42 21.73 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.335 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.4 tt -71.31 130.65 35.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.3 p -96.63 173.16 7.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.47 -28.47 69.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' B' ' 65' ' ' GLU . 22.3 mm-40 -68.55 -49.19 61.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.476 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -54.99 -45.25 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.452 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 mt -56.48 -62.2 1.88 Allowed 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 1.7 pp20? -46.16 -36.93 6.4 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.21 -33.97 71.61 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 111.508 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.57 4.81 34.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.1 -14.34 51.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.497 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.57 75.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.0 109.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.4 -4.44 26.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 11.2 t70 -73.29 131.14 83.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.78 -53.21 6.42 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.46 2.774 . . . . 0.0 113.825 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.39 88.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.572 0.225 . . . . 0.0 111.58 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 32.9 m170 -60.39 -41.84 94.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.3 -51.07 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.237 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -55.83 -46.38 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.55 -43.71 96.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.029 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -44.29 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -56.79 -37.4 71.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.963 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.71 -35.47 65.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.7 m -62.04 -32.66 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.575 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.6 -38.13 63.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.049 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -84.04 -54.91 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.75 -43.9 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 48.9 m -103.8 -22.47 13.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.0 mttm . . . . . 0 C--O 1.253 1.281 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.738 -179.256 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.75 0.31 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 t -52.18 -41.88 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.768 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.23 75.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.946 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 21.0 mt-10 -62.34 -43.81 97.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -66.29 -44.29 83.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 0.0 109.579 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.34 -28.51 69.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.825 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 1.6 pp20? -84.72 -38.72 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -53.35 -35.28 60.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.947 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HA ' ' CE1' ' B' ' 55' ' ' PHE . 25.3 pt -93.59 3.91 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 59.98 40.25 19.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.9 0.381 . . . . 0.0 111.5 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.434 ' SD ' ' HE2' ' A' ' 27' ' ' TYR . 16.1 mmt -128.73 31.44 4.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.87 -12.32 61.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.156 -1.383 . . . . 0.0 113.474 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -80.34 1.2 29.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.656 -0.652 . . . . 0.0 111.451 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HE2' ' SD ' ' A' ' 24' ' ' MET . 77.9 m-85 -106.46 2.92 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.206 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -59.78 -31.8 70.01 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.596 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.74 -44.75 93.65 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.765 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -73.0 -39.01 66.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.539 0.685 . . . . 0.0 111.21 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.512 ' SD ' HG23 ' A' ' 37' ' ' THR . 18.3 mmt -68.28 -30.93 70.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.971 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.12 -20.09 42.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.558 0.218 . . . . 0.0 111.424 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.32 0.49 48.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.47 -10.05 64.88 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.854 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -88.55 75.44 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.493 0.663 . . . . 0.0 109.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.512 HG23 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -95.92 4.49 52.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.229 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.01 158.38 39.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.575 0.226 . . . . 0.0 110.545 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.22 -42.56 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 2.4 mp0 -56.02 -38.96 71.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.882 0.373 . . . . 0.0 111.316 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.64 -37.77 35.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.154 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 45' ' ' MET . 73.7 t -59.78 -43.52 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.242 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 34.7 m -75.17 -7.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 24.0 mt-30 -87.84 -22.52 24.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.617 0.246 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.0 ptp -66.92 177.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.364 0.602 . . . . 0.0 111.5 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.1 t -133.96 178.7 6.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.408 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -55.41 -38.5 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 111.628 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.2 -39.45 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -58.71 -37.49 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.94 HD13 HD11 ' A' ' 68' ' ' LEU . 41.8 mm -58.13 -30.98 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 121.164 0.507 . . . . 0.0 111.016 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -89.82 -20.42 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.486 . . . . 0.0 110.731 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -82.25 -34.52 28.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.7 pt -73.21 -3.26 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.145 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.38 -82.42 0.31 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.019 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -19.37 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.05 1.34 . . . . 0.0 114.366 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -6.77 30.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.826 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.66 117.35 62.92 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 18.6 Cg_endo -58.55 -44.65 35.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.533 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -59.44 -43.42 97.47 Favored Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.133 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.8 -23.24 66.66 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 37.8 mt-30 -79.29 -11.44 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.846 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -91.77 -48.14 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.569 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -36.15 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.513 HG21 HD11 ' A' ' 50' ' ' ILE . 87.1 mt -71.21 -43.94 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.065 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -61.0 -37.89 84.12 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.268 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -56.99 11.75 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.678 0.752 . . . . 0.0 110.684 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -66.05 -39.65 90.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.405 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.94 HD11 HD13 ' A' ' 50' ' ' ILE . 14.3 mt -53.5 -45.54 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.248 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.0 mt -58.86 -42.31 89.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.202 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.13 -44.17 96.12 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.805 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.45 -40.87 83.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 43' ' ' VAL . 97.0 mttt -66.74 -42.07 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.08 -36.47 83.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.48 -41.14 98.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.836 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.2 p -74.01 -16.81 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.308 0.575 . . . . 0.0 110.623 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.94 -16.95 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 m -74.75 128.59 35.93 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.497 -0.764 . . . . 0.0 111.053 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.522 ' SD ' HD23 ' B' ' 56' ' ' LEU . 24.4 ptt? -131.68 20.54 4.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.977 0.417 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -56.61 19.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.1 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -74.65 -30.4 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.97 -23.25 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.654 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.5 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -52.55 -22.63 5.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 178.005 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.28 -37.55 72.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.757 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 pt -122.91 22.36 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.71 45.18 39.26 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.486 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.0 13.0 13.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.835 0.318 . . . . 0.0 111.348 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.5 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 11.4 pm0 -54.33 -25.51 24.38 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -68.59 -5.38 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -100.42 -19.62 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -45.47 -62.31 1.33 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.652 0.263 . . . . 0.0 111.705 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -43.58 -45.29 6.62 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.194 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.98 -31.36 75.15 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.88 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.98 -58.37 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.504 0.192 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' B' ' 51' ' ' ASP . 41.9 t -29.83 -51.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -52.45 -33.29 43.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.533 ' HA ' ' C ' ' A' ' 59' ' ' GLY . 2.3 m-20 -94.97 16.79 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.94 46.18 4.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.111 -1.043 . . . . 0.0 112.418 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -129.74 31.39 4.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.6 0.714 . . . . 0.0 109.099 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.412 ' HB3' HG13 ' B' ' 46' ' ' VAL . 15.2 p-10 -87.83 -6.27 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.424 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -113.7 128.22 56.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.942 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.68 -32.37 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.282 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -19.1 62.11 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.199 0.523 . . . . 0.0 110.725 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 22' ' ' ILE . 19.5 t80 -93.65 -34.57 13.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.794 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.522 HD23 ' SD ' ' B' ' 29' ' ' MET . 5.8 tp -67.9 -23.91 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.347 . . . . 0.0 111.312 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -108.3 17.2 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 110.62 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -69.62 148.55 11.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.065 0.46 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -102.6 170.22 8.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.07 -6.73 47.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.532 . . . . 0.0 109.957 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -100.88 -47.82 4.67 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 5.5 m-20 -56.48 -28.08 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.437 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -55.03 -50.88 67.96 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.406 -0.184 . . . . 0.0 110.929 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.504 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.15 -36.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.739 0.649 . . . . 0.0 111.934 177.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.638 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 0.2 OUTLIER -49.91 -36.89 29.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.68 9.37 30.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.26 -3.31 63.95 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.86 77.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.143 0.497 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . 0.41 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 83.0 mt-30 -104.14 15.89 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -96.33 132.28 26.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.49 -48.66 14.47 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.095 2.53 . . . . 0.0 113.443 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.99 83.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.577 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -59.62 -45.95 90.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.647 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.56 -51.36 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 0.0 110.549 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -55.56 -46.07 77.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.285 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.83 -41.93 98.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.391 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.44 -48.95 78.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.664 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.54 -40.85 79.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.372 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.38 -38.73 85.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 0.0 110.357 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -66.44 -35.41 80.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.187 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.01 -40.65 67.17 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 120.882 0.373 . . . . 0.0 111.014 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -76.8 -46.68 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.776 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.63 -54.78 42.47 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.8 m -80.88 -32.8 34.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 13.5 mttm . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.477 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 37' ' ' THR . 1.7 t -59.31 -47.38 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -45.2 87.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.914 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.16 -37.21 84.35 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.047 0.451 . . . . 0.0 110.288 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.416 ' NE1' ' HB2' ' A' ' 67' ' ' SER . 63.1 t90 -68.05 -46.26 71.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.823 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.94 -37.13 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.844 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.82 -40.6 97.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.51 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 22' ' ' ILE . 3.4 pt -90.56 -0.99 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 122.127 -0.358 . . . . 0.0 110.938 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HG3' ' CG ' ' B' ' 52' ' ' ASP . 71.7 mmtt 67.85 26.44 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.579 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 37.5 mmt -103.62 31.72 4.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.92 -35.55 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.23 -0.896 . . . . 0.0 113.315 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -73.81 -4.57 35.57 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 121.4 -0.813 . . . . 0.0 112.297 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 69.0 m-85 -92.95 1.59 57.22 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.724 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m -61.98 -32.68 73.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.68 46.34 1.15 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.898 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 50.2 m80 -155.24 -56.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.462 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -59.3 -45.68 90.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.267 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.509 ' SD ' HG23 ' A' ' 37' ' ' THR . 22.8 mmt -63.35 -33.4 75.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.94 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.59 -17.82 43.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 111.515 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.77 0.9 55.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.753 0.311 . . . . 0.0 111.381 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.23 76.77 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.511 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -92.04 69.99 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.6 p -82.04 -75.23 0.31 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.232 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.22 153.25 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.926 0.393 . . . . 0.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.85 -38.45 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 2.5 mp0 -59.34 -30.64 68.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.766 0.317 . . . . 0.0 110.901 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -83.56 -35.58 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 45' ' ' MET . 91.6 t -60.63 -39.63 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.857 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.8 m -75.41 -11.77 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 76.6 mt-30 -85.36 -18.87 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.386 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 7.6 ptp -65.53 174.93 1.99 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.015 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -129.2 174.64 9.39 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.14 -43.93 82.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.843 0.354 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.88 -35.27 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -56.91 -41.89 78.95 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 110.723 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.863 HD11 HG21 ' A' ' 64' ' ' ILE . 41.7 mm -56.43 -34.46 41.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.658 0.742 . . . . 0.0 110.962 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -85.72 -14.36 45.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.343 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -94.38 -30.52 14.44 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.369 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.2 pt -76.13 6.33 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.924 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.14 -82.04 0.31 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.054 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 27' ' ' TYR . 1.9 t -24.34 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -103.35 -5.33 23.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.759 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.1 mt -86.11 127.1 63.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.444 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.22 -46.24 35.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.746 2.964 . . . . 0.0 114.013 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.503 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.59 -38.81 78.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -63.84 -31.97 73.33 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -69.69 -58.04 4.41 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.49 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -36.48 -51.68 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.896 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -58.25 7.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.863 HG21 HD11 ' A' ' 50' ' ' ILE . 56.7 mt -61.3 -49.66 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.621 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.36 -39.56 70.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.709 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.98 -55.84 28.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.368 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.416 ' HB2' ' NE1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -58.42 -35.16 71.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.701 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.768 HD11 HD13 ' A' ' 50' ' ' ILE . 33.4 mt -62.12 -39.73 93.52 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.3 mt -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.271 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.32 89.69 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.508 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.6 mt -57.0 -45.77 82.79 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.631 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 75' ' ' VAL . 26.4 mttt -64.92 -40.91 95.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.45 -43.7 89.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -59.08 -45.13 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.797 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.0 p -71.25 -13.77 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 111.641 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -94.01 -5.17 48.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.182 0.515 . . . . 0.0 110.375 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.7 m -100.18 142.56 31.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.053 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.533 179.801 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -119.67 2.78 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.817 -0.226 . . . . 0.0 111.002 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -49.14 78.35 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.58 44.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.848 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . 0.445 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 30.7 t90 -76.79 -47.21 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.445 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 59.8 mt -80.05 29.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 13.1 tpp180 -109.47 1.21 19.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.77 -11.12 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.894 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.403 HD13 ' OG1' ' B' ' 81' ' ' THR . 15.1 pt -134.65 17.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.95 54.25 19.25 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.579 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -126.67 10.77 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.773 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pm0 -59.23 -25.54 64.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.392 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -10.48 56.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.22 -9.97 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.38 -62.55 1.43 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -46.82 -40.42 13.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.31 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.81 -38.42 96.13 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.397 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.55 -47.56 26.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.457 0.17 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 73.4 t -44.91 -36.22 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -18.96 46.62 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.503 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 74.3 m-20 -108.78 26.23 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.49 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.57 49.5 37.03 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.257 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -121.22 31.43 6.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 110.269 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.18 41.05 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.81 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.497 ' CG ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -152.5 174.33 14.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.094 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.42 -16.83 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.629 0.252 . . . . 0.0 111.476 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.74 -49.81 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.268 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.34 -30.95 63.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.7 -15.27 63.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -66.02 -22.68 66.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -125.22 60.91 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.485 0.659 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -94.02 151.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.997 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -100.12 162.06 13.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.88 -27.43 68.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.77 -45.79 70.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.19 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -43.67 78.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 67.5 mt -57.11 -54.78 42.84 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.96 31.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.822 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -65.73 -11.15 43.12 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.55 -0.77 31.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.675 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 -11.51 33.16 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.737 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.2 t -83.73 74.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.317 0.579 . . . . 0.0 110.203 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -92.86 2.11 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -84.19 129.31 58.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.3 -43.18 29.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.983 2.455 . . . . 0.0 113.104 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -63.72 -48.7 76.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.555 0.217 . . . . 0.0 111.397 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -62.37 -37.72 86.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.607 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -64.02 -57.27 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.78 -43.9 69.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.498 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -57.99 -48.4 80.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.99 -48.09 83.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.93 -45.1 74.76 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -40.14 91.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.403 ' OG1' HD13 ' B' ' 36' ' ' ILE . 29.9 m -65.53 -38.59 90.09 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.76 -48.19 80.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -67.5 -40.36 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.53 -30.38 65.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -91.05 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.361 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.323 0.106 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 t -52.35 -40.0 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 123.406 0.441 . . . . 0.0 111.526 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.884 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.66 -34.29 69.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -67.47 -41.81 84.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.6 mt -73.18 -26.09 61.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.033 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.28 -48.01 74.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -51.15 50.33 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.43 5.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 O-C-N 121.943 -0.473 . . . . 0.0 111.467 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HG3' ' HB2' ' B' ' 55' ' ' PHE . 14.9 mmtp 59.67 40.36 20.05 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.41 0.624 . . . . 0.0 111.651 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 mmt -111.86 32.79 5.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -57.83 -30.41 65.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.68 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pm0 -77.91 -9.92 59.32 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 121.918 -0.489 . . . . 0.0 111.536 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.74 -3.01 58.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 110.82 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -66.27 -26.24 67.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 109.764 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -83.88 48.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.308 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -44.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.469 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -59.83 -44.46 94.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.607 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.707 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 25.9 mmt -71.69 -25.29 62.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.298 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -18.08 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 0.0 110.85 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.2 -4.36 59.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.551 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.6 -10.02 55.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.738 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -87.09 76.57 9.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.3 0.571 . . . . 0.0 109.721 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.707 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -95.18 5.82 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.613 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -153.08 156.78 39.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.73 0.3 . . . . 0.0 110.861 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -53.98 -42.25 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.8 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' OE1' ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -62.69 -33.98 76.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.236 -178.525 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -78.56 -35.81 45.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.6 t -61.62 -37.92 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.288 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 71' ' ' LEU . 17.1 m -75.49 -12.19 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.638 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -82.45 -25.67 33.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.817 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.0 ptp -65.5 173.66 2.59 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.422 HG22 ' OD2' ' A' ' 49' ' ' ASP . 6.6 t -132.62 -179.09 5.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.18 -44.01 71.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.655 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.77 -39.51 85.09 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' HG22 ' A' ' 46' ' ' THR . 5.1 m-20 -54.05 -45.35 71.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.749 0.309 . . . . 0.0 111.273 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.897 HD11 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -56.04 -42.16 71.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 123.738 0.815 . . . . 0.0 110.997 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -81.6 -11.08 59.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.702 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -95.62 -36.05 11.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -76.41 18.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.136 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.17 -93.28 0.41 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.081 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -9.09 81.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.641 1.577 . . . . 0.0 114.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -88.84 -16.22 32.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.632 HD11 ' CD2' ' A' ' 60' ' ' HIS . 41.5 mt -76.19 119.47 77.43 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.52 -39.93 88.27 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.137 2.558 . . . . 0.0 113.598 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -64.31 -46.2 91.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.41 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.632 ' CD2' HD11 ' A' ' 57' ' ' LEU . 23.7 m-70 -63.21 -31.58 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -61.83 -66.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.81 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -39.04 -46.68 1.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.09 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -59.79 -46.43 89.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.897 179.741 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.897 HG21 HD11 ' A' ' 50' ' ' ILE . 93.4 mt -68.39 -44.77 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -60.44 -39.07 86.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.053 0.454 . . . . 0.0 110.945 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -67.03 -41.01 87.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 m -68.44 -29.63 68.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.092 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.617 HD11 HD13 ' A' ' 50' ' ' ILE . 15.8 mt -66.57 -36.39 82.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.425 0.155 . . . . 0.0 111.417 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 42.4 mt -60.98 -38.44 85.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.84 96.45 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.469 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' HB3' HG11 ' A' ' 43' ' ' VAL . 12.7 mt -60.84 -46.47 90.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.885 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' HG12 ' A' ' 75' ' ' VAL . 37.7 mttm -63.24 -39.97 96.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.11 -43.11 93.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.92 -37.65 87.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.6 p -75.86 -10.06 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.253 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -89.85 -11.63 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.2 125.65 27.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.867 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.859 -0.497 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -126.94 24.51 6.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -53.36 59.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.052 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.21 65.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.177 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -68.51 -50.88 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.025 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.489 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -60.05 -6.23 1.3 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.3 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 pt -127.84 27.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.187 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.42 51.65 21.07 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.916 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 12.97 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.038 0.419 . . . . 0.0 111.654 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -53.08 -24.46 10.11 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.95 -11.46 60.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.44 ' HH ' ' CD2' ' B' ' 74' ' ' HIS . 22.5 m-85 -87.81 -22.92 24.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.48 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 46' ' ' VAL . 29.9 tt0 -48.71 -51.42 28.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.197 0.31 . . . . 0.0 110.946 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -43.62 -46.11 7.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.642 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.74 60.33 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.551 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.15 24.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.467 0.307 . . . . 0.0 111.645 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 42' ' ' GLU . 46.2 t -104.13 -38.26 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.427 ' HA ' HD13 ' A' ' 57' ' ' LEU . 12.4 m170 -71.11 -4.85 27.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.539 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 2.2 m120 -114.87 3.95 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.199 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.69 38.55 61.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.711 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -109.92 19.55 18.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.431 0.634 . . . . 0.0 109.512 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.05 -19.22 40.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.998 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.13 112.61 20.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.632 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 30.8 mt -58.44 -37.06 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -62.03 -38.11 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . 0.519 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t80 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 tp -61.69 -24.93 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -68.66 -11.96 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -117.73 16.87 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.942 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.3 144.24 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.008 0.432 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -92.81 177.18 6.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.91 -6.57 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -94.38 -43.88 8.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.022 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.16 -33.24 51.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.609 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.25 -57.05 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -42.7 -34.21 0.86 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 1.2 mm-40 -56.18 -40.08 73.39 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.06 20.5 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.878 0.371 . . . . 0.0 111.499 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.07 84.83 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.549 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 62.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.49 0.662 . . . . 0.0 110.132 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.17 23.37 9.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.936 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -107.39 133.9 20.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.381 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.04 -52.07 8.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.239 2.626 . . . . 0.0 113.307 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.59 89.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.714 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.44 ' CD2' ' HH ' ' B' ' 41' ' ' TYR . 58.0 m80 -62.36 -44.71 95.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.461 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -61.18 -52.14 66.08 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.38 -49.38 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.032 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.16 -47.43 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.787 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -48.76 80.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 110.339 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.17 -41.73 75.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.91 -39.39 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.9 m -62.5 -35.44 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.216 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.66 -39.76 65.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.53 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -80.21 -52.04 8.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.403 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 35.3 tp -52.52 -62.22 1.78 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m -75.38 -37.69 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.453 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.709 0.29 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 t -49.07 -41.96 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.958 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -40.95 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.863 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -63.88 -35.16 79.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 111.339 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -72.86 -36.13 67.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.161 0.505 . . . . 0.0 109.961 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -75.53 -38.54 59.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.566 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -69.64 -39.34 77.17 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -58.5 -41.05 84.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 pt -86.84 3.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.176 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 19.7 mmtp 58.57 42.55 20.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.183 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.32 26.64 9.08 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.043 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -75.37 -2.77 30.02 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 119.084 0.856 . . . . 0.0 111.327 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CD1' HG23 ' A' ' 55' ' ' VAL . 73.7 m-85 -92.43 8.55 38.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 0.0 110.186 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -71.71 -27.38 62.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.46 43.81 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.672 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -160.39 -51.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.28 -41.05 79.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.222 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.545 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 24.7 mmt -72.6 -24.53 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.19 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -24.57 40.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.066 0.46 . . . . 0.0 110.695 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.6 -3.06 52.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.068 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.29 -3.72 61.88 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.07 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.45 77.46 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.43 0.634 . . . . 0.0 109.505 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.545 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.5 p -97.7 5.44 49.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.885 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -149.58 153.69 37.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.6 mm -58.65 -34.96 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.65 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' OE1' ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -62.68 -32.36 73.42 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.526 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -79.66 -38.19 34.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' HG2' ' A' ' 45' ' ' MET . 75.7 t -58.3 -41.26 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.403 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 m -74.12 -16.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.564 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -82.47 -26.04 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.604 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 7.9 ptp -66.68 176.87 1.79 Allowed 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.3 t -136.18 178.15 7.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.29 -36.04 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.9 78.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.084 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.11 -48.67 78.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.834 HD11 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -53.67 -43.46 55.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 C-N-CA 123.614 0.766 . . . . 0.0 111.008 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -77.73 -10.25 59.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.043 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -103.42 -34.88 8.57 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -76.13 15.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.44 -94.31 0.35 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.944 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 27' ' ' TYR . 1.6 t -10.6 87.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.527 1.531 . . . . 0.0 114.486 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -93.92 -15.57 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.568 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.7 mt -75.32 129.52 82.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.71 -47.72 22.19 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.564 2.843 . . . . 0.0 113.816 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.61 -34.96 73.75 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 120.061 -1.066 . . . . 0.0 112.852 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -65.03 -29.81 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.767 0.794 . . . . 0.0 109.071 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -72.66 -64.57 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.97 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -35.88 -48.49 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.196 0.935 . . . . 0.0 112.917 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' B' ' 55' ' ' PHE . 0.1 OUTLIER -58.17 -49.06 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.053 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.834 HG21 HD11 ' A' ' 50' ' ' ILE . 90.0 mt -65.9 -47.51 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.224 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.75 81.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.071 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -54.97 -49.95 70.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.437 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -62.6 -33.58 75.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.86 -38.78 92.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.82 -41.13 90.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.22 91.35 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.826 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.2 mt -57.87 -45.3 86.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.762 0.315 . . . . 0.0 110.985 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 mttm -61.82 -43.19 99.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.0 -42.35 94.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.26 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 15.2 mm-40 -58.55 -42.88 88.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.953 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.5 p -74.02 -10.01 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.398 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.45 -15.85 23.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 110.528 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.0 m -75.36 132.3 40.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.606 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -135.87 23.73 3.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.73 0.265 . . . . 0.0 111.426 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -56.67 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.6 -27.02 57.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.107 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -75.64 -57.46 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' B' ' 35' ' ' ALA . 83.4 mt -59.52 -31.63 69.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.0 -10.16 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' B' ' 33' ' ' LEU . . . -71.0 -29.24 65.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.042 0.449 . . . . 0.0 109.831 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 pt -129.84 27.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.71 49.0 17.39 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 113.659 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.35 14.13 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.486 -0.42 . . . . 0.0 111.501 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -55.36 -25.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.084 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -69.56 -0.4 6.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.634 0.254 . . . . 0.0 111.547 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -105.31 -21.48 13.23 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.455 -0.153 . . . . 0.0 111.375 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.408 ' HB2' HD11 ' B' ' 33' ' ' LEU . 68.8 tt0 -48.0 -52.83 18.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.311 0.382 . . . . 0.0 110.921 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -48.05 7.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.372 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.42 44.73 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.747 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.8 -58.89 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.363 0.125 . . . . 0.0 111.208 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -44.75 -37.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.86 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.583 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 3.0 m120 -112.95 27.24 9.79 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.373 -0.531 . . . . 0.0 112.061 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.6 54.79 4.85 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.205 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -133.01 34.21 3.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.486 0.66 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -78.34 -17.28 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.583 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.526 ' OD2' ' HG3' ' A' ' 23' ' ' LYS . 29.1 t70 -104.42 127.74 52.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.04 -29.7 60.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.02 -44.39 96.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.225 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . 0.525 ' CE2' ' HD3' ' A' ' 63' ' ' ARG . 31.8 t80 -73.48 -28.9 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.5 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.4 -24.56 66.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -16.55 64.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -112.02 24.51 12.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.901 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.0 tt -76.36 148.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.148 0.499 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.8 p -102.34 166.23 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.137 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.88 -15.01 62.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.11 -52.8 6.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.573 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -22.38 65.98 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.4 -51.38 69.66 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -41.28 -37.66 1.01 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.71 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.405 ' HB3' HD21 ' B' ' 48' ' ' ASN . 9.9 mm-40 -54.7 -33.58 61.13 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.69 10.7 24.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.87 0.367 . . . . 0.0 111.567 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.03 -4.15 70.94 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.304 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.64 71.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.054 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.64 -8.23 35.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.715 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -76.44 128.6 81.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.76 -46.15 31.62 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.148 2.565 . . . . 0.0 113.367 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.0 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.618 0.247 . . . . 0.0 111.552 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -60.29 -39.03 85.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.85 -54.75 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 109.756 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 76' ' ' ARG . 16.3 tpt85 -54.97 -44.86 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.924 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.47 -47.55 83.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.387 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -49.26 77.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.355 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.88 -43.03 72.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.244 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.98 -41.64 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.05 0.453 . . . . 0.0 110.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 m -64.74 -34.34 78.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.429 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.95 -47.77 70.94 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 120.736 0.303 . . . . 0.0 110.998 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -73.96 -45.72 48.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.785 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.45 -48.79 71.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 m -97.01 -35.95 10.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 mttm . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.105 -178.649 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.68 -39.27 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -50.74 71.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.43 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.42 -31.64 71.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.851 0.358 . . . . 0.0 111.6 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.178 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -79.36 -33.25 43.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.862 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.56 -45.54 86.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.972 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.19 -40.41 67.53 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -88.47 5.04 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.85 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt 67.77 35.08 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.555 0.742 . . . . 0.0 111.87 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 mmt -114.22 25.58 10.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -27.4 38.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.01 -0.996 . . . . 0.0 113.103 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -82.11 -4.38 56.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.542 0.61 . . . . 0.0 111.809 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' CD1' HG23 ' A' ' 55' ' ' VAL . 74.1 m-85 -96.74 2.31 51.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 m -64.34 -32.38 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.794 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.07 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.82 0.819 . . . . 0.0 109.638 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.037 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.2 -41.6 98.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 110.578 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtt -61.68 -45.51 93.69 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.545 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.8 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 110.756 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 -20.34 60.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.497 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.6 44.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.734 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.19 73.67 4.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.159 0.504 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.6 13.72 33.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' O ' HG21 ' A' ' 42' ' ' VAL . . . -148.77 146.26 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.361 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.9 mm -53.66 -43.29 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -27.42 69.04 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.53 -178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 19.9 mttp -84.99 -34.68 22.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.744 0.307 . . . . 0.0 110.714 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.593 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.7 t -59.7 -36.91 68.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.75 -5.3 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 41' ' ' LYS . 77.0 mt-30 -83.68 -24.41 31.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.649 0.261 . . . . 0.0 110.749 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 12.2 ptp -64.67 179.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 111.555 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 t -139.22 176.08 9.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.79 -52.36 60.51 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.349 0.406 . . . . 0.0 111.814 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.54 -36.41 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 111.584 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -62.53 -37.75 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.299 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.864 HD13 ' CD1' ' A' ' 68' ' ' LEU . 93.2 mt -60.02 -28.96 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.592 0 CA-C-O 121.583 0.706 . . . . 0.0 111.018 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -86.72 -13.94 43.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.294 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -91.2 -38.49 12.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.2 pt -70.34 11.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.689 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.38 -85.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.955 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 27' ' ' TYR . 3.5 t -23.93 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.552 1.141 . . . . 0.0 113.842 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -97.23 -11.55 24.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -78.19 120.63 81.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.105 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.0 -42.24 53.76 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.207 2.604 . . . . 0.0 113.331 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -68.93 -31.59 72.78 Favored Glycine 0 N--CA 1.44 -1.058 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.105 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -71.76 -30.08 65.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -68.21 -62.29 1.46 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.18 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -43.44 -43.16 5.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.752 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -52.93 63.4 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.22 0.533 . . . . 0.0 109.903 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.72 -43.58 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.269 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.46 -37.62 73.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.369 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.569 0.7 . . . . 0.0 110.322 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 m -71.26 -24.2 62.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.899 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.864 ' CD1' HD13 ' A' ' 50' ' ' ILE . 12.9 mt -71.23 -32.83 69.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.6 mt -64.61 -42.1 95.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.75 -45.98 94.82 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.061 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.41 -43.78 88.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 111.446 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 75' ' ' VAL . 58.9 mttm -65.89 -38.66 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.28 -41.27 73.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.296 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -66.81 -35.73 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.518 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.4 p -72.62 -17.82 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.374 0.607 . . . . 0.0 110.126 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -92.56 -8.91 43.03 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.203 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -84.41 127.19 33.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.852 179.613 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.179 -0.368 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -130.87 30.8 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -59.99 -49.57 77.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.165 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.35 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.676 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -69.21 -42.56 75.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.955 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.8 -28.02 60.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.153 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.455 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 6.0 tpp180 -59.68 -22.29 61.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.983 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.67 68.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.589 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.452 HD13 ' OG1' ' B' ' 81' ' ' THR . 14.9 pt -121.48 17.73 5.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.686 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.85 46.16 60.58 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.49 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.57 14.17 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.933 0.366 . . . . 0.0 110.972 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.455 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 2.9 pm0 -53.37 -21.61 6.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -72.27 -15.16 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -86.38 -22.87 26.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.489 ' O ' HG22 ' B' ' 46' ' ' VAL . 70.9 tt0 -49.75 -31.17 10.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.0 -48.27 73.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.88 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.17 -28.9 55.2 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.796 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.14 14.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.489 HG22 ' O ' ' B' ' 42' ' ' GLU . 49.0 t -102.63 -28.25 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.243 0.544 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -77.46 -10.87 59.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.263 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.482 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 1.0 OUTLIER -111.35 -2.46 15.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.623 0.249 . . . . 0.0 111.112 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.13 52.92 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.699 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.482 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 56.9 m95 -116.25 21.5 13.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.104 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.87 5.11 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -111.2 112.02 23.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.261 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.79 -53.93 43.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.176 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.56 -28.6 66.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.237 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.85 -22.37 66.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.998 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.6 m -76.47 -2.49 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.744 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.29 17.49 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.188 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.5 tt -70.06 141.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 59.4 p -102.17 177.54 4.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.0 -16.6 61.51 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.68 -52.76 10.77 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.454 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -52.06 -46.09 65.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -48.83 -61.72 1.9 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.511 0.196 . . . . 0.0 110.661 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -42.53 -47.28 5.1 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.805 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.16 -31.75 67.55 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.05 4.57 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 111.476 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.44 -8.36 60.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.653 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 t -82.33 75.59 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.218 0.533 . . . . 0.0 110.047 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -96.95 -12.79 22.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.283 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 30.1 t70 -69.55 128.86 91.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.975 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -52.48 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.323 2.682 . . . . 0.0 113.377 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.1 90.26 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 35.6 m80 -61.66 -41.14 97.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.834 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -64.2 -47.78 78.45 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -57.88 -49.94 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.637 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.49 -48.7 78.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.941 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -45.32 89.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.579 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.14 -36.61 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.74 -37.87 64.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.181 0.515 . . . . 0.0 110.231 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.452 ' OG1' HD13 ' B' ' 36' ' ' ILE . 13.7 m -60.79 -34.42 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.123 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 95.5 mt -53.3 -31.05 42.09 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.043 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.41 -49.46 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' B' ' 81' ' ' THR . 14.6 tp -47.23 -48.55 24.19 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.742 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 4.51 18.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.0 mttm . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.203 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.756 0.312 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.11 -40.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.412 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 p -57.2 -43.57 82.87 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.333 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.47 -47.42 86.21 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.673 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 7.2 t90 -61.21 -55.53 31.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.526 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 18.2 mt -58.61 -41.78 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.684 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.38 -46.63 88.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.462 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.7 p -62.16 -39.68 93.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.9 pt -85.12 -1.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 121.495 -0.753 . . . . 0.0 110.543 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HZ3' ' CG ' ' B' ' 51' ' ' ASP . 0.1 OUTLIER 71.65 18.59 5.25 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.937 177.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.463 ' HE2' ' CD2' ' A' ' 60' ' ' HIS . 27.3 mmt -100.16 26.97 5.96 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -54.76 -33.33 61.16 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -77.44 14.77 0.9 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' HH ' ' CD2' ' A' ' 60' ' ' HIS . 77.8 m-85 -121.37 4.17 10.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.203 0.525 . . . . 0.0 110.056 177.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -65.86 -35.51 80.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.682 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.13 5.65 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.459 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.22 -41.71 3.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -59.57 -45.12 92.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.611 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.677 ' SD ' HG23 ' A' ' 37' ' ' THR . 20.0 mmt -62.4 -26.6 68.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.953 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.07 46.33 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.0 110.917 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -26.68 61.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.5 14.31 7.6 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.337 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.27 71.16 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.38 0.609 . . . . 0.0 109.952 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.677 HG23 ' SD ' ' A' ' 32' ' ' MET . 22.9 p -99.35 15.11 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.855 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -150.35 153.02 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.69 -45.2 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE1' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -62.98 -38.55 91.59 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.301 -178.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.445 ' HG3' ' OE1' ' A' ' 40' ' ' GLU . 3.1 mttp -66.83 -35.83 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.237 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.99 -39.09 79.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.35 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.59 -36.2 33.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.411 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 ptp -61.08 178.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.335 0.588 . . . . 0.0 111.513 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.1 t -132.67 175.73 9.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.48 -48.07 72.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.234 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.5 -30.41 71.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.93 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -34.65 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.105 0.478 . . . . 0.0 110.044 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.717 HD13 HD11 ' A' ' 68' ' ' LEU . 92.8 mt -59.27 -30.84 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 123.435 0.694 . . . . 0.0 110.994 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -78.16 -22.91 48.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.768 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -86.06 -34.57 20.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.075 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.28 -12.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.45 -70.16 0.38 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.222 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -37.51 107.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -118.61 25.23 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.03 0.443 . . . . 0.0 111.07 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 30.7 mt -111.81 133.45 21.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.97 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.31 -53.36 6.79 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 124.078 3.186 . . . . 0.0 114.674 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.34 -36.68 93.51 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.979 -1.105 . . . . 0.0 111.846 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CD2' ' HH ' ' A' ' 27' ' ' TYR . 26.7 m80 -69.94 -25.66 63.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.853 0.835 . . . . 0.0 108.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -88.28 -1.34 57.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.636 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.36 -42.32 7.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.299 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.452 HH22 ' HA ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -56.49 -51.79 67.17 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 68.9 mt -62.92 -45.15 99.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.7 91.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.5 -49.4 77.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 m -64.93 -32.47 74.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.717 HD11 HD13 ' A' ' 50' ' ' ILE . 82.4 mt -60.16 -37.63 80.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.294 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.63 -48.16 82.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.15 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.944 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.69 -42.31 96.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.877 0.37 . . . . 0.0 111.228 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.71 -33.38 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.5 -39.38 70.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.823 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -60.44 -41.26 93.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.702 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.86 -11.63 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -91.4 -17.35 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.467 0.651 . . . . 0.0 109.838 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.5 m -82.66 137.19 34.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.59 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.482 -0.771 . . . . 0.0 110.13 -179.764 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.2 ptt? -124.37 11.62 8.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.769 0.319 . . . . 0.0 110.206 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -56.4 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.43 -33.74 45.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -75.06 -45.55 40.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.09 -29.77 70.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.43 -12.38 3.83 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.712 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.19 68.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.521 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.478 HD13 ' OG1' ' B' ' 81' ' ' THR . 9.2 pt -128.77 15.93 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.267 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.56 93.36 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.646 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.8 17.53 18.0 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.483 -0.422 . . . . 0.0 111.188 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 pm0 -65.43 -16.77 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 110.37 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -67.31 -11.28 57.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.204 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -108.1 -4.7 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -50.42 -58.01 6.7 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -46.83 -45.9 20.48 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.29 -35.15 89.9 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.224 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 82.9 mt -71.43 -52.29 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.688 0.28 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 97.3 t -54.27 -43.73 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.9 -47.93 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.489 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.59 -50.86 70.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.987 0.422 . . . . 0.0 110.402 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 137.87 47.82 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.326 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.463 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 47.4 m95 -127.67 24.14 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.674 0.274 . . . . 0.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.478 ' CG ' ' HZ3' ' A' ' 23' ' ' LYS . 17.9 p-10 -81.28 3.09 25.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.209 0.528 . . . . 0.0 110.228 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' HB3' ' A' ' 23' ' ' LYS . 1.9 m-20 -90.28 105.18 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.107 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.65 -23.97 62.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.07 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.49 3.79 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.358 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.452 ' HA ' HH22 ' A' ' 63' ' ' ARG . 12.4 tp -71.25 -21.12 62.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.596 0.236 . . . . 0.0 111.21 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -69.56 -24.92 63.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.056 0.455 . . . . 0.0 110.388 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.32 90.74 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.8 tt -154.34 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.641 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -102.09 175.74 5.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.039 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.75 -26.85 66.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.46 ' C ' ' H ' ' B' ' 64' ' ' LEU . 49.2 mt-10 -78.26 -28.44 47.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.835 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -80.1 21.62 0.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.394 0.616 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' B' ' 62' ' ' GLU . 72.7 mt -116.22 -62.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.511 ' HB2' ' HG2' ' B' ' 70' ' ' GLN . 0.1 OUTLIER -47.83 -28.96 2.85 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.79 177.06 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -62.33 -23.09 66.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.956 0.408 . . . . 0.0 111.132 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.62 8.9 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.246 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 -5.85 49.68 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -81.77 68.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.25 0.547 . . . . 0.0 110.19 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . 0.511 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 93.8 mt-30 -98.2 27.48 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.223 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -116.41 131.86 23.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.3 -40.73 65.67 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.065 2.51 . . . . 0.0 113.344 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.57 81.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -64.32 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.62 -54.49 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -52.09 -42.67 63.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.643 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -43.3 96.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 0.3 OUTLIER -59.99 -52.27 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.83 -47.42 77.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.69 -43.16 89.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.813 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.478 ' OG1' HD13 ' B' ' 36' ' ' ILE . 21.0 m -69.11 -33.15 73.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.439 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 89.9 mt -60.06 -49.82 76.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.358 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.61 -33.54 75.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.398 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.08 -24.65 65.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.508 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -105.99 -15.22 14.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.448 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.9 -1.048 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 t -56.21 -36.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.434 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -62.0 -35.57 78.93 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 111.687 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 67' ' ' SER . 52.4 t90 -66.12 -37.25 85.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 13.5 mt -88.07 -27.38 22.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -65.32 -46.49 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.339 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -55.63 -48.38 75.02 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 pt -79.85 2.45 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.499 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 67.19 38.52 3.35 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.843 0.715 . . . . 0.0 112.524 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.2 mmt -118.33 30.21 7.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.737 0.779 . . . . 0.0 109.165 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -57.38 -23.19 47.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.449 -1.25 . . . . 0.0 113.979 -178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -81.66 -7.51 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.721 0.691 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.508 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 73.4 m-85 -97.32 -8.62 29.24 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -56.37 -37.59 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.11 -50.74 70.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -55.89 -39.76 72.02 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.418 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 14.9 m-85 -61.5 -48.51 80.77 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.52 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.3 mtt -73.0 -7.21 50.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.106 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 -15.84 21.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 0.0 110.05 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.61 -4.04 45.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.21 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.39 -7.58 47.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.745 -0.741 . . . . 0.0 113.051 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -86.97 68.61 10.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.78 7.73 39.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.14 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB1' ' OE2' ' A' ' 40' ' ' GLU . . . -138.86 141.11 38.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.341 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.98 -45.29 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' OE2' ' HB1' ' A' ' 38' ' ' ALA . 1.3 mp0 -58.96 -33.62 70.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.77 0.319 . . . . 0.0 111.346 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.52 -33.72 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.105 0.478 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.594 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -64.86 -43.32 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.296 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.4 m -74.27 -14.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -81.79 -25.02 35.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.365 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.594 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.5 ptp -66.44 -178.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -131.82 176.66 8.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.86 -41.27 77.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.168 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.09 -32.67 73.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.425 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 46' ' ' THR . 2.9 m-20 -58.87 -36.13 74.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.109 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.779 HD13 HD13 ' A' ' 68' ' ' LEU . 96.2 mt -57.0 -39.56 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.262 0.553 . . . . 0.0 111.004 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 7.3 mtpp -77.59 -38.45 48.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.383 0.611 . . . . 0.0 109.433 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -45.97 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.035 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 pt -71.8 6.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.47 -81.37 0.33 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.26 -0.971 . . . . 0.0 112.98 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.424 HG23 ' CD1' ' A' ' 27' ' ' TYR . 2.2 t -23.9 96.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.89 1.276 . . . . 0.0 114.236 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.08 -10.19 24.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.541 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' HB3' ' O ' ' B' ' 47' ' ' HIS . 41.3 mt -78.66 122.01 84.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.87 -42.77 60.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.954 2.436 . . . . 0.0 112.798 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -66.77 -39.64 93.62 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.769 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -69.02 -28.91 67.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.617 ' HG2' HG21 ' A' ' 50' ' ' ILE . 35.3 mt-30 -68.2 -63.16 1.11 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.457 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -39.73 -46.58 1.92 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.148 0.905 . . . . 0.0 111.65 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -54.37 -54.19 43.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.51 -45.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.732 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.92 81.51 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.87 -46.54 87.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.115 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -65.15 -36.72 85.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.071 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.779 HD13 HD13 ' A' ' 50' ' ' ILE . 9.2 mt -60.89 -42.21 97.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.28 -40.65 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.506 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.27 -47.21 92.19 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.698 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.67 -44.05 93.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.238 . . . . 0.0 111.309 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -61.04 -45.23 95.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.49 -45.78 82.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.036 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -59.96 -41.82 92.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 p -71.55 -18.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 111.195 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -91.68 -6.0 52.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.16 0.505 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.7 m -88.92 146.94 24.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.707 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.918 179.705 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.09 23.43 2.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.363 . . . . 0.0 110.321 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -54.58 45.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.153 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.48 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -69.5 -47.41 63.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.098 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.7 mt -71.07 -28.4 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.83 -15.13 7.38 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.261 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -31.65 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.3 pt -127.36 21.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.053 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.49 50.45 35.82 Favored Glycine 0 CA--C 1.52 0.387 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.364 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -120.36 12.56 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.906 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -53.51 -22.71 8.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -62.43 -19.7 63.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -50.28 -36.42 31.44 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.4 -49.77 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.321 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.91 -19.62 61.0 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.828 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.15 17.49 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.13 -26.12 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.245 0.545 . . . . 0.0 110.151 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.453 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 17.0 m-70 -69.28 -19.37 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.591 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.0 OUTLIER -110.06 1.71 19.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.477 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.21 42.81 95.53 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 13.9 m95 -88.2 18.72 4.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.508 . . . . 0.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.496 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.7 98.8 7.12 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.85 -21.88 61.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.785 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.74 -61.63 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.796 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -69.69 -24.87 63.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.42 -24.61 67.69 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.099 0.476 . . . . 0.0 110.183 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 m -72.8 -16.92 61.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.465 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -110.45 21.21 16.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 tt -78.46 155.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 19.2 p -104.78 172.26 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 0.0 110.424 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -82.95 13.46 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.032 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.408 ' HA ' ' OE2' ' B' ' 65' ' ' GLU . 35.9 mt-10 -126.08 34.7 4.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.527 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -132.92 -40.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.32 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.478 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 66.5 mt -52.99 -46.68 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.12 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.491 ' CD ' ' HZ2' ' B' ' 75' ' ' LYS . 2.5 pm0 -40.58 -41.43 1.47 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.456 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.0 tt0 -60.01 -30.75 69.36 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.37 -3.37 58.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.6 -10.34 23.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.276 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.1 t -82.86 71.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -100.44 12.15 37.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 0.0 110.181 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.452 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 16.5 t70 -91.81 135.08 27.93 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.782 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.07 -55.17 3.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.054 2.502 . . . . 0.0 113.161 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.26 90.45 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.452 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 49.8 m170 -58.32 -43.99 88.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.314 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.491 ' HZ2' ' CD ' ' B' ' 65' ' ' GLU . 26.0 mtmt -66.02 -42.83 89.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.406 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.86 -50.76 70.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.503 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.22 -45.04 80.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.654 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.36 -42.18 98.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.777 0.323 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.64 -37.12 82.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -72.78 -36.32 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.248 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.9 m -64.3 -31.97 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.857 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' B' ' 86' ' ' LYS . 90.0 mt -59.14 -30.09 67.89 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.175 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -87.26 -59.29 2.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 33.6 tp -42.61 -60.87 1.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.955 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.8 m -84.91 -40.57 16.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.641 0.257 . . . . 0.0 111.125 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.535 -0.745 . . . . 0.0 110.8 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.577 0.227 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.28 -40.08 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.692 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -47.01 81.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.785 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.93 -36.78 85.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.007 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -67.58 -44.95 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.215 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.01 -22.47 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.512 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.55 -36.12 33.46 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -54.22 -32.35 55.62 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 pt -105.89 -0.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt 64.07 44.82 4.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 112.382 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.5 mmt -121.08 23.96 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -58.39 -23.18 56.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.971 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -82.93 -0.3 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.262 -0.899 . . . . 0.0 111.462 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 66.7 m-85 -97.58 2.74 50.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.306 . . . . 0.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 m -63.52 -30.91 71.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.354 0.597 . . . . 0.0 110.373 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -68.05 4.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.09 -43.65 2.53 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 30.4 m-85 -55.49 -46.82 76.86 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.56 0.695 . . . . 0.0 110.134 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.494 ' SD ' HG23 ' A' ' 37' ' ' THR . 22.9 mmt -64.34 -39.94 94.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.329 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.68 -25.15 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.723 0.297 . . . . 0.0 111.747 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -9.57 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.55 -4.05 30.97 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.255 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -89.01 75.76 7.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.413 0.625 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.494 HG23 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -99.14 3.91 46.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.831 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' HB1' ' OE1' ' A' ' 40' ' ' GLU . . . -153.08 161.24 42.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.01 -44.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' OE1' ' HB1' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -59.57 -40.36 87.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.903 0.32 . . . . 0.0 111.417 -178.37 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -69.39 -38.74 78.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.797 0.332 . . . . 0.0 110.19 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 45' ' ' MET . 75.5 t -61.28 -35.57 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.22 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.47 -12.3 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.953 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -82.49 -29.22 30.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.899 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.9 ptp -58.92 167.2 1.68 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.177 0.513 . . . . 0.0 111.644 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -119.33 175.12 5.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.244 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.6 -44.22 85.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.67 -22.84 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.632 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -34.86 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.806 HD13 HD13 ' A' ' 68' ' ' LEU . 93.0 mt -56.23 -35.26 41.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.833 0.825 . . . . 0.0 111.001 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 3.1 mtpp -83.61 -38.66 21.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.518 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -62.56 -36.03 81.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.25 -0.08 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.24 -81.31 0.26 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.64 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 21.3 t -28.51 97.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.71 -4.04 34.49 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.858 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 80.1 mt -83.29 119.88 74.77 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 11.5 Cg_endo -53.28 -48.17 23.48 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.599 2.866 . . . . 0.0 114.11 -177.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -65.42 -37.48 93.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.399 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.504 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 4.2 m-70 -65.94 -27.46 68.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 109.111 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 31.3 mt-30 -69.27 -64.02 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.11 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -37.93 -44.43 0.78 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.73 -46.03 90.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.979 0.419 . . . . 0.0 110.917 -178.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.2 mt -70.58 -50.49 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.11 78.41 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.78 -45.67 85.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.197 0.523 . . . . 0.0 110.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -65.7 -28.64 69.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.143 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.806 HD13 HD13 ' A' ' 50' ' ' ILE . 14.0 mt -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.424 -0.172 . . . . 0.0 110.581 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.1 mt -53.95 -38.71 65.23 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.428 0.455 . . . . 0.0 110.581 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.55 -45.47 94.63 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.505 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.73 -45.32 93.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 0.0 111.046 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -58.74 -42.84 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.214 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.24 -41.1 61.85 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.865 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -65.12 -38.11 89.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.807 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.2 -16.13 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.802 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -99.62 1.36 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m -87.1 148.94 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.905 179.435 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -125.98 18.54 7.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.627 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.98 -54.11 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.081 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.81 64.67 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.062 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -71.16 -53.39 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.329 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.406 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 15.1 mt -57.6 -29.31 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.406 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.93 -24.76 25.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.395 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.25 57.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.677 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -120.41 23.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.03 34.0 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.056 -0.975 . . . . 0.0 113.644 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.88 14.14 24.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.02 0.438 . . . . 0.0 110.794 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -50.36 -31.03 13.6 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.554 179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -66.49 -8.09 24.02 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' B' ' 69' ' ' VAL . 0.6 OUTLIER -89.77 -22.13 22.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.496 ' O ' HG22 ' B' ' 46' ' ' VAL . 32.1 tt0 -55.99 -24.94 41.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.195 0.522 . . . . 0.0 110.983 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.54 -49.9 73.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.051 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.81 -5.13 81.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.062 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 30.4 mt -95.1 16.72 15.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.557 -0.379 . . . . 0.0 111.369 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.496 HG22 ' O ' ' B' ' 42' ' ' GLU . 54.3 t -96.18 -41.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.107 -0.371 . . . . 0.0 111.661 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' A' ' 57' ' ' LEU . 9.6 m-70 -69.62 0.47 5.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.574 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 5.3 m-20 -112.2 1.93 16.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 88.75 22.59 38.86 Favored Glycine 0 C--N 1.319 -0.405 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.824 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.518 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 43.8 m95 -85.6 40.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.737 0.78 . . . . 0.0 109.319 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.21 -29.38 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.338 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -114.77 127.25 55.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.87 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.1 -20.99 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.532 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.56 -41.26 94.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 0.0 110.094 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -77.67 -28.04 51.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -15.83 61.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.594 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -79.35 -8.4 59.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.052 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.83 18.11 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.882 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.8 tt -75.57 150.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.317 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.5 p -112.73 173.91 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.06 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -67.44 -26.08 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.65 -55.77 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.047 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -52.91 -42.07 65.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.477 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.9 mt -54.46 -60.26 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.36 -37.29 2.21 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 45.8 mt-10 -59.34 -34.7 72.68 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.4 -0.68 42.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 0.0 111.53 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.64 4.38 37.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.299 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' B' ' 41' ' ' TYR . 2.7 t -85.81 63.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.0 110.073 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -98.79 49.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.356 0.598 . . . . 0.0 110.533 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 7.5 t70 -136.28 131.8 18.75 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.486 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.25 -53.68 5.48 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.964 2.443 . . . . 0.0 113.202 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.85 92.9 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 56.2 m170 -57.96 -45.92 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.338 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -56.5 -51.69 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.43 -43.87 79.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 2.0 tt -61.75 -45.9 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.03 -40.87 86.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.71 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.31 -38.82 88.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.425 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -65.28 -35.19 80.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 95.1 mt -55.99 -45.9 78.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.41 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -67.48 -44.72 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.98 -24.51 67.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -94.34 -49.03 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? . . . . . 0 C--O 1.25 1.118 0 O-C-N 123.981 0.801 . . . . 0.0 110.669 -179.542 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.684 0.278 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.22 -37.58 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.778 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -44.25 93.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.64 -32.32 70.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.301 0.572 . . . . 0.0 111.331 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -77.17 -29.31 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.878 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.8 -24.42 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -41.86 45.69 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.631 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -32.35 65.38 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.591 HG23 ' OG ' ' A' ' 67' ' ' SER . 11.9 pt -99.16 1.23 10.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.62 49.19 5.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.691 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mmt -131.84 42.67 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -62.48 -24.95 67.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -73.01 -0.91 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.532 -0.73 . . . . 0.0 112.452 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.472 ' HH ' HG11 ' A' ' 55' ' ' VAL . 11.2 m-85 -94.42 -2.85 51.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.705 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.48 -40.21 96.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.466 0.651 . . . . 0.0 109.486 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -87.72 44.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.939 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -154.25 -54.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.111 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.37 -40.07 89.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.464 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.1 mtt -76.41 -15.41 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.287 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.76 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.334 0.588 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.83 0.72 54.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.89 -8.16 53.83 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.941 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -89.13 74.6 8.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.409 0.623 . . . . 0.0 109.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.02 5.75 50.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.008 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' O ' HG21 ' A' ' 42' ' ' VAL . . . -150.16 155.43 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.565 0.221 . . . . 0.0 110.722 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.36 -42.25 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' OE1' ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -61.74 -28.66 69.59 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.204 -178.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -84.36 -31.63 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.429 . . . . 0.0 110.014 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.5 t -62.48 -37.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -75.31 -7.66 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.649 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 77.7 mt-30 -85.97 -25.21 26.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.302 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.1 ptp -70.62 179.99 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.061 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -140.84 178.86 7.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -52.39 -43.31 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.3 -42.66 91.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.804 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' O ' HG12 ' A' ' 53' ' ' ILE . 3.5 m-20 -53.11 -47.2 68.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.942 0.401 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 68' ' ' LEU . 96.1 mt -54.01 -42.23 53.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 C-N-CA 123.907 0.883 . . . . 0.0 111.014 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -79.73 -18.89 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -84.91 -40.16 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.727 0.299 . . . . 0.0 110.721 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 49' ' ' ASP . 17.9 pt -80.8 16.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 111.499 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.83 -125.25 6.24 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.829 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 HG11 ' HH ' ' A' ' 27' ' ' TYR . 3.1 t 39.19 61.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.385 0.697 . . . . 0.0 111.998 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -22.32 63.03 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.88 125.95 87.61 Favored Pre-proline 0 N--CA 1.464 0.257 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.54 -42.79 51.15 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.137 2.558 . . . . 0.0 113.174 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.521 ' HA3' ' CB ' ' B' ' 48' ' ' ASN . . . -68.38 -29.16 73.01 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.757 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -69.16 -34.89 75.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -67.97 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.534 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -40.03 -44.14 1.69 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.209 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.531 ' HD3' ' O ' ' A' ' 22' ' ' ILE . 39.4 ttm180 -59.74 -49.54 77.32 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.307 0.575 . . . . 0.0 110.125 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.09 -43.63 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.454 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.23 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.93 -45.25 78.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 122.175 0.988 . . . . 0.0 109.046 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.591 ' OG ' HG23 ' A' ' 22' ' ' ILE . 9.4 m -71.43 -17.52 62.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.482 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.912 ' CD1' HD13 ' A' ' 50' ' ' ILE . 24.8 mt -83.3 -37.05 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.69 -44.02 85.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.49 -44.23 98.27 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.0 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.85 -42.42 93.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.706 0.289 . . . . 0.0 110.686 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.489 ' O ' HG12 ' A' ' 75' ' ' VAL . 77.7 mttt -63.87 -47.19 81.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.277 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.6 -39.76 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.741 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.6 p -91.42 -11.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.439 . . . . 0.0 110.646 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -91.95 -24.02 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.5 m -85.34 136.77 33.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.976 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.251 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -142.46 20.37 2.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -55.16 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.66 40.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.065 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TRP . . . . . 0.46 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 41.2 t90 -78.14 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.988 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.46 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 15.5 mt -57.15 -28.83 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.552 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 3.3 ttp-105 -53.66 -15.89 1.39 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 177.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -35.91 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 109.821 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 pt -124.01 25.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.31 45.77 44.44 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.85 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.21 17.15 11.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.993 0.397 . . . . 0.0 111.797 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.552 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 4.8 pm0 -63.84 -18.57 64.28 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.818 0.342 . . . . 0.0 111.512 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 40' ' ' ARG . 26.6 mtm180 -71.05 -1.56 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -112.63 -11.56 13.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -48.17 -58.99 3.76 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -45.16 -39.9 6.58 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.455 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.14 92.9 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -72.89 -41.45 64.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.463 0.173 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.73 -33.39 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -63.35 -14.88 54.76 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 111.575 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.521 ' CB ' ' HA3' ' A' ' 59' ' ' GLY . 95.9 m-20 -113.97 11.96 17.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 10.79 80.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.253 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.56 48.57 1.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.41 0.624 . . . . 0.0 109.678 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -105.77 -12.22 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.575 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -88.65 112.66 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.64 -30.04 66.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -73.08 -52.48 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.707 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -19.61 62.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.799 0.333 . . . . 0.0 110.185 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.69 -17.66 61.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -73.1 -13.02 61.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -106.74 20.35 19.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.67 0.748 . . . . 0.0 109.668 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.7 tt -78.28 147.9 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.934 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.1 p -107.24 165.68 11.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.864 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.414 ' HG2' ' HD2' ' B' ' 75' ' ' LYS . 5.7 tt0 -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' B' ' 65' ' ' GLU . 26.5 mt-10 -75.68 -41.14 54.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.067 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.02 -47.92 67.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.88 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.44 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 91.0 mt -52.79 -54.21 37.42 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 110.044 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.462 ' HG3' ' HG2' ' B' ' 70' ' ' GLN . 2.1 tt0 -45.07 -46.78 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.355 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.84 -14.7 63.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.954 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.67 1.74 53.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 110.525 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.16 -15.0 36.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.408 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 8.5 t -85.85 74.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.23 0.538 . . . . 0.0 110.122 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . 0.462 ' HG2' ' HG3' ' B' ' 65' ' ' GLU . 46.0 mt-30 -90.86 -16.28 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.12 129.12 93.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.711 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.38 -47.2 17.72 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.183 2.588 . . . . 0.0 113.539 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.8 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.213 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -59.03 -46.26 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.414 ' HD2' ' HG2' ' B' ' 61' ' ' GLU . 49.7 mtmt -61.34 -49.18 78.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.0 0.429 . . . . 0.0 109.976 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -55.44 -46.83 76.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.9 -45.8 93.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.466 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -46.65 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.748 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mp -57.43 -37.22 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.915 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 -36.96 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 110.45 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -35.67 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.245 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.17 -40.9 91.58 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -67.57 -45.48 75.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.215 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -51.44 -50.05 60.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.357 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -84.31 -25.69 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.385 0.143 . . . . 0.0 111.385 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.152 0 O-C-N 123.9 0.75 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.952 0.406 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 15' ' ' VAL . 2.2 t -48.92 -35.15 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.926 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.68 83.76 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.603 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.47 -38.8 88.6 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.3 0.375 . . . . 0.0 111.227 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.644 ' O ' HG12 ' A' ' 22' ' ' ILE . 15.4 t90 -67.64 -54.3 20.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 0.0 109.943 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 28' ' ' THR . 13.1 mt -58.65 -32.56 69.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.269 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -33.43 24.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -67.21 -33.33 75.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 18' ' ' TRP . 25.9 pt -89.46 8.91 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.272 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 29.13 14.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.179 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.5 mmt -103.09 21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -33.25 -58.4 0.39 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.241 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -59.12 -12.39 4.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CE1' HG22 ' A' ' 55' ' ' VAL . 11.3 m-85 -82.83 -33.17 27.22 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.395 -0.816 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.513 ' HA ' HD13 ' A' ' 19' ' ' LEU . 2.2 m -40.86 -38.79 1.0 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.32 0.581 . . . . 0.0 112.357 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.82 -52.64 64.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.018 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -72.27 -36.29 68.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.269 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.37 -62.72 1.52 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.773 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.7 mtt -57.06 -33.86 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.792 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.8 66.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.83 15.15 7.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.004 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.3 -12.46 62.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.837 -0.697 . . . . 0.0 114.416 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -88.48 60.0 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.784 0.792 . . . . 0.0 110.55 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -25.33 36.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.228 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -118.8 144.86 46.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -43.44 -50.96 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.025 -0.988 . . . . 0.0 113.633 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -51.68 -32.12 28.5 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.14 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -87.74 -32.01 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.496 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 38' ' ' ALA . 97.3 t -64.85 -36.58 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.6 -9.53 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.326 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 74.7 mt-30 -81.53 -58.17 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.5 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.524 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -46.56 116.1 1.21 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -70.42 -152.57 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.956 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -77.16 -38.01 52.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.76 -55.84 22.73 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 4.0 m-20 -50.72 -43.36 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.674 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.047 HD11 HD12 ' A' ' 68' ' ' LEU . 95.6 mt -51.66 -51.38 27.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 121.809 0.814 . . . . 0.0 110.996 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -68.6 -31.77 71.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.876 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.81 -54.33 9.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.0 pt -43.98 -27.61 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.35 39.38 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 119.919 -1.134 . . . . 0.0 113.401 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.586 HG22 ' CE1' ' A' ' 27' ' ' TYR . 67.4 t -120.26 102.5 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -106.48 -12.96 15.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.695 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' B' ' 47' ' ' HIS . 50.5 mt -78.29 125.95 84.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.07 -40.24 72.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.439 2.092 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' B' ' 48' ' ' ASN . . . -62.35 -42.89 99.69 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.797 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.534 ' CE1' HD12 ' A' ' 57' ' ' LEU . 52.2 m170 -71.34 -19.4 62.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.902 0.851 . . . . 0.0 109.564 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.489 ' HG3' HG12 ' A' ' 55' ' ' VAL . 24.7 mt-30 -75.81 -5.06 44.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.186 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -112.13 -41.14 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.203 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -56.58 -40.35 75.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.437 178.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -80.74 -49.01 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.3 -51.51 69.07 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -54.99 -54.18 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.172 0.51 . . . . 0.0 110.511 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.52 ' CB ' ' HE1' ' A' ' 18' ' ' TRP . 11.9 m -61.38 -37.91 85.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.326 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.047 HD12 HD11 ' A' ' 50' ' ' ILE . 11.7 mt -59.65 -41.03 89.63 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.435 0.159 . . . . 0.0 110.694 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 76.2 mt -56.29 -42.19 77.14 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.75 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.26 -47.41 85.15 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.391 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.59 -43.85 93.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -61.66 -36.45 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.1 -36.92 39.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.713 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -58.97 -44.22 91.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.248 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.2 p -71.88 -17.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.726 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.83 -19.16 29.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.435 179.684 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 111.851 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -66.99 -59.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.266 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.24 -23.24 61.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.146 0.498 . . . . 0.0 110.431 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.748 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.45 -21.65 64.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.132 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.09 -47.24 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.665 0.269 . . . . 0.0 111.211 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.6 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.611 HD13 ' OG1' ' B' ' 81' ' ' THR . 11.7 pt -95.63 -12.81 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 37.37 8.51 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' B' ' 41' ' ' TYR . 3.4 mp -123.06 4.9 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' B' ' 40' ' ' ARG . 10.3 pm0 -43.89 -38.95 3.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.673 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' B' ' 39' ' ' GLU . 46.7 mtm180 -65.62 -7.7 16.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.416 ' CD2' ' HG ' ' B' ' 38' ' ' LEU . 92.2 m-85 -96.5 -35.45 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 118.706 -0.664 . . . . 0.0 111.625 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -12.53 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.543 1.152 . . . . 0.0 113.436 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -31.16 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.01 -35.66 64.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.375 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 mp -91.23 16.1 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 74.2 t -101.69 -36.92 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.777 ' HA ' HD13 ' A' ' 57' ' ' LEU . 19.0 m170 -72.05 -1.64 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.213 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.408 ' CG ' ' HA3' ' A' ' 59' ' ' GLY . 2.0 m120 -116.15 -7.38 11.86 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.77 10.42 57.76 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.675 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.598 ' HB3' HD13 ' B' ' 56' ' ' LEU . 67.0 m95 -98.35 22.91 9.04 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.218 -0.578 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.52 ' HB3' ' HA ' ' B' ' 46' ' ' VAL . 9.7 p-10 -85.32 26.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.401 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -142.97 129.47 20.13 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.204 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.0 20.48 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' B' ' 52' ' ' ASP . 23.6 mm-40 -90.18 -40.36 12.25 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.335 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.7 -12.96 7.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.458 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' B' ' 50' ' ' TRP . 27.5 tp -68.82 -23.66 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.401 0.62 . . . . 0.0 109.846 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.61 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -128.85 29.72 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 109.936 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 tt -71.07 151.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.592 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -105.37 168.35 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.102 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.29 -45.66 46.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.291 0.567 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.89 16.46 0.53 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.62 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -103.26 -55.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -46.23 -32.8 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.11 -28.67 70.23 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.26 4.91 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.263 0.554 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.0 -13.01 57.59 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' B' ' 74' ' ' HIS . 2.6 t -82.33 64.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.137 0.494 . . . . 0.0 109.878 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -90.24 -28.2 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.181 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.86 136.94 87.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.964 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.7 -46.36 30.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.663 2.908 . . . . 0.0 113.713 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.89 96.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 111.228 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' HIS . . . . . 0.438 ' HB3' HG13 ' B' ' 69' ' ' VAL . 49.1 m80 -66.43 -43.69 84.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.133 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -62.63 -46.59 87.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.049 0.452 . . . . 0.0 109.928 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -61.73 -35.53 78.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.859 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -46.74 80.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.97 -37.19 86.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.93 -30.58 71.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 110.061 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.98 -39.33 79.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.727 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.611 ' OG1' HD13 ' B' ' 36' ' ' ILE . 1.3 m -64.83 -26.83 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.693 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.45 -26.91 68.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -107.07 -25.1 11.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 tp . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 120.994 0.426 . . . . 0.0 110.315 179.492 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.799 0.333 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 37' ' ' THR . 91.7 t -62.86 -35.52 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.238 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 28.8 mt-10 -63.59 -33.77 76.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.638 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -71.72 -43.86 65.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.39 -32.19 69.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.03 -30.32 66.49 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.011 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -55.95 -42.23 75.88 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.189 0.306 . . . . 0.0 111.187 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -2.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 24.5 mmtp 64.08 26.95 14.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.803 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mmt -108.95 32.61 4.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -62.45 -21.46 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.392 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -78.06 15.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.696 -0.627 . . . . 0.0 111.689 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -119.18 3.14 11.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.603 0.24 . . . . 0.0 110.885 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 32' ' ' MET . 5.4 m -62.18 -31.09 71.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.23 0.538 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.61 -45.39 89.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.397 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -71.04 -38.41 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.19 -48.15 76.94 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.344 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.457 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 36.1 mmt -64.55 -34.72 78.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.4 71.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.283 . . . . 0.0 111.47 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -9.17 49.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.406 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.58 2.79 58.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.59 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -95.86 69.99 2.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.637 0.732 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.584 ' O ' HG21 ' A' ' 15' ' ' VAL . 2.1 p -77.74 -68.65 0.6 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.862 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' H ' ' HD3' ' A' ' 41' ' ' LYS . . . -85.75 169.21 13.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 112.169 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.3 mm -50.7 -48.28 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.312 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.9 mp0 -53.7 -39.48 65.23 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.802 0.334 . . . . 0.0 111.808 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HD3' ' H ' ' A' ' 38' ' ' ALA . 2.9 mptp? -74.34 -33.89 63.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.4 . . . . 0.0 110.664 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 45' ' ' MET . 99.4 t -68.53 -41.49 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 71' ' ' LEU . 22.5 m -77.03 -7.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.32 -22.03 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.695 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 13.7 ptp -65.87 179.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.355 0.598 . . . . 0.0 111.405 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -136.25 178.03 7.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.611 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -56.53 -44.17 80.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.564 0.221 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.08 -37.94 75.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 53' ' ' ILE . 4.3 m-20 -60.33 -41.71 94.11 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.695 ' CD1' ' SD ' ' A' ' 45' ' ' MET . 47.8 mm -60.74 -25.99 36.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.295 0.569 . . . . 0.0 110.993 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -91.02 -15.41 29.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -99.14 -23.42 15.25 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.523 0.202 . . . . 0.0 111.449 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 49' ' ' ASP . 36.8 pt -72.32 9.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.815 0.341 . . . . 0.0 111.918 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.74 0.41 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.702 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 60' ' ' HIS . 38.6 t -39.03 108.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -108.63 -8.06 15.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.109 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.549 HD13 ' O ' ' B' ' 47' ' ' HIS . 25.4 mt -79.36 128.25 76.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.11 -47.93 18.18 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 113.243 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.78 -39.62 98.19 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.713 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.424 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -66.36 -32.3 73.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.493 0.664 . . . . 0.0 109.373 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.602 ' HG2' HG22 ' A' ' 50' ' ' ILE . 34.2 mt-30 -72.0 -58.43 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.061 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -38.8 -47.53 1.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.398 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -55.37 35.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.272 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG21 HD12 ' A' ' 50' ' ' ILE . 72.7 mt -56.6 -44.35 80.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.609 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.71 -51.04 71.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -67.53 -26.94 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.786 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 50' ' ' ILE . 11.5 mt -65.77 -34.05 77.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.2 -41.39 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.66 -41.61 97.66 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.859 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.538 ' HB3' HG12 ' A' ' 43' ' ' VAL . 6.8 mt -60.31 -43.78 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.696 0.284 . . . . 0.0 111.451 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' O ' HG12 ' A' ' 75' ' ' VAL . 85.4 mttt -68.25 -40.8 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.432 . . . . 0.0 110.112 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -58.75 -45.21 90.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.623 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.2 p -71.27 -10.38 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -100.49 -6.93 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.956 0.407 . . . . 0.0 110.337 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.83 179.288 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -53.28 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 -36.22 61.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.738 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.53 -51.03 60.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.517 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -83.56 31.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.612 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -111.28 2.29 17.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.51 -15.59 28.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.104 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.31 15.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.86 52.96 24.01 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.287 -0.869 . . . . 0.0 113.368 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.88 16.26 10.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.051 0.425 . . . . 0.0 111.115 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -57.44 -20.21 28.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.725 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.12 -14.03 62.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.982 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -98.21 -17.87 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -41.56 -65.73 0.41 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -42.56 -39.27 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.41 -39.42 87.36 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.13 -55.92 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 64.0 t -46.1 -49.23 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.549 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.09 -47.12 68.79 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 120.615 0.245 . . . . 0.0 111.309 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.465 ' OD1' ' HA ' ' B' ' 67' ' ' ALA . 7.0 m120 -62.0 -80.73 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.93 46.33 0.21 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.896 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -135.47 63.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.03 0.443 . . . . 0.0 110.343 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.91 -4.9 39.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.205 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -128.89 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.436 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.31 -18.71 29.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.93 -20.95 60.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -101.24 -15.7 17.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.15 -20.03 66.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -10.66 60.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.72 22.14 16.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.152 0.501 . . . . 0.0 110.195 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 tt -79.61 152.23 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.416 ' H ' ' HB2' ' B' ' 63' ' ' ASP . 79.7 p -121.97 172.8 7.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.95 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.68 -32.47 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.33 -47.76 69.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.59 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.416 ' HB2' ' H ' ' B' ' 60' ' ' THR . 6.3 m-20 -53.29 -49.0 67.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 15.7 mt -54.29 -54.39 40.91 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.03 -48.62 11.66 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.385 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.12 -25.21 66.88 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ALA . . . . . 0.465 ' HA ' ' OD1' ' B' ' 48' ' ' ASN . . . -84.42 -6.93 59.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.72 -15.7 21.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.578 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.9 t -86.47 81.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.135 0.493 . . . . 0.0 110.009 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.44 -16.85 20.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.7 126.89 93.19 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.06 -49.87 15.6 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.31 2.673 . . . . 0.0 113.261 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.38 77.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.474 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -60.88 -41.88 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -62.95 -54.41 38.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.051 0.453 . . . . 0.0 110.035 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -55.28 -45.33 76.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.881 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.82 -48.89 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.5 -44.19 96.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.647 0.26 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.04 -44.71 79.08 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.06 -42.67 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.455 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.95 -31.05 71.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.017 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.49 -45.58 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.82 -47.68 68.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.081 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.782 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.25 -38.76 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.814 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.48 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.601 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 54.1 mt-10 -61.67 -32.16 72.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.468 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -74.09 -37.89 64.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -80.05 -31.86 39.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.083 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 12.6 pt-20 -75.34 -37.23 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.01 -0.431 . . . . 0.0 111.878 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -56.45 -37.95 70.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 67' ' ' SER . 12.4 pt -92.66 -0.36 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp 66.56 44.99 2.16 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.353 0.597 . . . . 0.0 112.133 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mmt -127.71 26.81 5.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.77 -17.91 63.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.662 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -85.16 -3.95 58.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 118.997 0.817 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.91 -4.68 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.101 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -54.24 -43.3 70.77 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.713 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -55.52 -44.54 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.533 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -44.57 81.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 110.408 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -56.49 -51.06 69.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.665 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.9 mtt -66.46 -31.18 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.127 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.09 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.092 0.473 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.4 -15.48 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.876 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.8 -5.7 14.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.304 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -89.97 71.75 7.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.085 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.13 0.92 56.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.023 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.451 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -151.12 157.89 43.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.07 -41.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 mp0 -57.45 -34.34 68.89 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.768 0.318 . . . . 0.0 111.096 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -80.3 -35.32 35.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.918 0.39 . . . . 0.0 110.047 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.3 t -60.61 -41.03 86.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.76 -9.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -84.35 -24.2 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.077 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 13.7 ptp -63.77 176.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.14 0.495 . . . . 0.0 111.299 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -129.15 169.16 15.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.74 -47.59 79.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.805 0.336 . . . . 0.0 111.515 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.83 -30.79 71.76 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.83 -29.24 68.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.634 0.254 . . . . 0.0 111.422 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.023 HD11 ' CD1' ' A' ' 68' ' ' LEU . 92.6 mt -61.75 -28.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.828 0.823 . . . . 0.0 110.966 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -89.88 -7.87 53.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.283 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -91.97 -38.33 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -73.92 23.1 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.82 -88.92 0.44 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.378 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -11.52 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.67 1.588 . . . . 0.0 114.798 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -92.29 -17.04 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.677 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 57' ' ' LEU . 21.1 mt -76.95 123.7 87.41 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.347 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.32 -41.39 73.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.395 2.73 . . . . 0.0 113.549 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.69 -33.04 70.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.894 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -67.4 -32.93 74.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.59 -62.42 1.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.563 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.75 -50.89 0.86 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.198 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.409 HH22 ' C ' ' B' ' 49' ' ' GLY . 37.0 ttm180 -58.76 -52.72 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.099 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.8 mt -57.7 -44.43 85.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.233 0.333 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.48 87.79 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.319 0.581 . . . . 0.0 110.616 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.92 -44.7 96.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.739 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 22' ' ' ILE . 3.7 m -67.18 -27.98 67.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.651 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.023 ' CD1' HD11 ' A' ' 50' ' ' ILE . 16.0 mt -69.72 -40.08 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.126 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.89 -36.79 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.37 86.46 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.914 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.32 -42.05 94.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.563 0.221 . . . . 0.0 111.478 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -64.9 -39.88 94.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.51 -41.66 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.26 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -65.71 -29.89 70.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.582 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.91 -12.21 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.678 . . . . 0.0 109.757 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -92.28 -8.96 43.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.955 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.093 179.702 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' B' ' 34' ' ' ARG . 0.7 OUTLIER -59.3 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.21 -27.83 69.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.208 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -73.0 -41.37 64.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.752 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' B' ' 42' ' ' GLU . 38.0 mt -74.7 -21.92 59.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.643 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.519 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -57.96 -19.97 34.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -38.94 75.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 pt -119.54 21.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.81 45.94 31.53 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.513 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.37 16.61 13.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.83 0.315 . . . . 0.0 111.254 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.519 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 6.8 pm0 -51.1 -28.02 9.64 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 -61.84 -19.15 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.724 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.87 -24.09 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.473 ' O ' HG23 ' B' ' 46' ' ' VAL . 53.5 tt0 -51.26 -35.16 35.94 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.88 0.371 . . . . 0.0 111.262 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.24 -50.53 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.375 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -28.15 65.06 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.684 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.21 -53.55 29.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.773 0.286 . . . . 0.0 110.45 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 42' ' ' GLU . 84.3 t -46.0 -38.3 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -17.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 111.48 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.514 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 4.9 m-20 -110.82 9.58 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.409 ' C ' HH22 ' A' ' 63' ' ' ARG . . . 74.4 19.0 79.95 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.755 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -92.28 39.85 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.422 ' HB3' HG22 ' B' ' 46' ' ' VAL . 12.5 p-10 -98.64 6.56 46.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -108.72 120.27 41.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.175 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.48 -26.78 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.868 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.89 -52.02 65.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.16 -25.54 47.32 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -65.94 -20.4 66.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 110.297 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -66.64 -14.77 62.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.112 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -128.89 38.21 3.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.339 0.59 . . . . 0.0 110.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.6 tt -84.51 141.21 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.466 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -94.93 164.12 13.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.79 -36.99 86.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.948 0.404 . . . . 0.0 110.333 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.78 -49.9 75.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.32 -41.4 84.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 33.6 mt -54.24 -58.0 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.601 0.238 . . . . 0.0 110.747 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -45.6 -40.47 8.91 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.833 178.25 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 3.5 tm-20 -64.48 -28.65 69.81 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.355 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.81 2.06 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.415 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 -3.96 31.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.997 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.7 t -84.34 61.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.443 0.64 . . . . 0.0 110.053 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.52 46.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.416 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.05 131.02 19.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.8 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.59 -55.77 3.03 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.221 2.614 . . . . 0.0 113.239 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.4 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.676 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -57.25 -47.69 80.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -63.92 -46.43 84.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.39 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 76' ' ' ARG . 12.5 tpt180 -58.22 -52.4 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.215 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.18 -42.47 98.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.964 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.44 -45.05 92.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.209 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.08 -39.38 81.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.77 -36.15 75.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -66.02 -34.13 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.654 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -83.07 -49.71 9.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 tp . . . . . 0 C--O 1.233 0.234 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 t -53.7 -44.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.025 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.208 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.51 -37.7 85.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.334 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.423 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.5 t90 -66.04 -41.36 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.5 -20.58 62.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.787 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -81.17 -47.49 13.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.602 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -19.4 15.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 18' ' ' TRP . 2.7 pt -113.3 3.64 8.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 111.452 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp 57.25 46.56 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.36 25.87 9.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.72 -9.99 58.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.018 -1.447 . . . . 0.0 111.572 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -83.81 8.21 15.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 109.795 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -119.54 5.24 11.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.624 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -60.82 -38.92 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.557 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 47.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.729 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -150.94 -51.79 0.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.44 -40.12 77.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.751 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' HG22 ' A' ' 37' ' ' THR . 26.0 mmt -62.21 -40.93 97.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.697 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.13 -30.53 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.743 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.84 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.26 -5.43 52.46 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.098 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -89.38 78.96 7.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.196 0.522 . . . . 0.0 109.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.474 HG22 ' SD ' ' A' ' 32' ' ' MET . 3.1 p -103.32 2.97 34.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.505 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -145.45 149.49 34.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.62 -39.98 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 112.254 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -38.83 71.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.566 0.222 . . . . 0.0 111.42 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 1.1 mptp? -79.04 -36.12 41.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.38 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.539 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -58.33 -42.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.289 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.34 -9.0 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.703 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -84.13 -25.81 29.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.281 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 16.8 ptp -64.09 177.87 0.74 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.568 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 174.6 10.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -54.98 -46.65 75.13 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.86 -31.54 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -34.35 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.946 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 68' ' ' LEU . 92.7 mt -58.48 -33.27 47.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.747 0.784 . . . . 0.0 110.984 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -79.0 -16.52 56.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.259 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -92.6 -30.48 15.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 0.0 111.261 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 pt -72.97 -0.29 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.0 2.46 23.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.683 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.12 82.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 117.821 0.81 . . . . 0.0 110.394 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -17.12 57.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.683 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 47' ' ' HIS . 71.6 mt -78.71 118.03 69.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.672 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -60.49 -36.0 88.11 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.202 2.601 . . . . 0.0 113.962 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.55 -30.85 70.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.284 -0.96 . . . . 0.0 110.767 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -74.15 -32.71 63.24 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.67 -71.17 0.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.703 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -40.4 -41.44 1.39 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.032 0.833 . . . . 0.0 112.475 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -52.29 64.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.01 -46.95 92.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.495 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.54 -49.68 61.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.752 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.759 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.5 m -69.5 -28.51 66.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.607 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' CD1' HD11 ' A' ' 50' ' ' ILE . 75.9 mt -69.25 -30.33 68.44 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.093 0.473 . . . . 0.0 110.534 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.65 -45.62 93.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.173 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.66 92.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.893 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.72 -48.83 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -60.45 -44.37 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.937 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -35.85 78.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.709 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -66.81 -42.17 86.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.25 -13.31 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.247 0.546 . . . . 0.0 110.349 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -99.38 -4.03 32.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.418 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 m . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.768 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptt? . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.536 0.208 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -57.54 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 110.336 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.789 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -69.05 -35.42 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.111 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' B' ' 42' ' ' GLU . 35.6 mt -84.27 -16.96 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.652 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -65.22 -12.55 52.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.358 0.599 . . . . 0.0 109.944 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.63 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.088 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -128.17 19.73 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.074 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.57 42.59 58.17 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 113.397 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.37 17.44 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.949 0.374 . . . . 0.0 111.456 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 pm0 -54.22 -20.32 6.73 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.505 ' CE2' HG22 ' B' ' 69' ' ' VAL . 2.6 m-85 -91.81 -26.01 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.745 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.4 ' HB2' HD12 ' B' ' 33' ' ' LEU . 51.3 tt0 -42.9 -63.84 0.73 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.87 -40.79 1.45 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.768 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.56 -34.24 63.35 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.481 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 9.8 mt -80.61 24.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.646 0.378 . . . . 0.0 111.662 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.55 -21.01 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.296 0.569 . . . . 0.0 110.397 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.426 ' HA ' HD13 ' A' ' 57' ' ' LEU . 29.6 m-70 -85.56 0.5 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.757 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.546 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 1.7 m120 -118.55 0.44 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.21 29.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.128 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 66.8 m95 -100.2 23.17 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.621 0.724 . . . . 0.0 109.309 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.5 27.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.546 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' B' ' 50' ' ' TRP . 31.4 t70 -147.41 121.83 9.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.295 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.71 -33.41 75.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.428 ' HB2' ' OD2' ' B' ' 52' ' ' ASP . 48.9 mt-10 -61.61 -46.51 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.623 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.79 -40.16 63.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.43 -20.78 63.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -63.08 -22.66 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.97 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.78 24.89 11.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.345 . . . . 0.0 111.351 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.01 138.94 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 50.6 p -100.04 176.62 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.41 -23.25 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.32 -51.97 26.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 28.9 m-20 -53.02 -47.2 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.324 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.544 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 76.7 mt -47.03 -62.61 1.33 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -35.08 -36.73 0.06 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 7.7 mt-10 -53.25 -41.73 65.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.37 11.74 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.07 3.61 61.77 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.184 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 3.3 t -82.84 65.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.226 0.536 . . . . 0.0 109.992 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -100.01 -2.54 34.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.78 131.85 69.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.223 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.7 -49.53 14.43 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.051 2.501 . . . . 0.0 112.936 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.34 85.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -56.7 -46.48 81.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -62.48 -51.31 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 0.0 110.571 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' B' ' 76' ' ' ARG . 41.1 tpt85 -56.29 -48.67 76.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.629 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.72 -44.3 94.0 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -45.49 90.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.578 0.228 . . . . 0.0 110.65 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.78 -33.88 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -36.76 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.273 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -62.03 -32.78 73.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.715 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.368 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -79.76 -55.69 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.192 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 120.671 0.272 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.99 -41.78 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -51.81 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.6 -38.47 78.03 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 111.211 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -72.08 -47.9 48.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.377 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.87 -26.45 62.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.12 -35.99 61.66 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.323 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -32.99 69.62 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.36 -1.54 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 67.73 33.84 4.71 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.574 0.546 . . . . 0.0 111.937 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.1 mmt -117.31 24.42 11.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.24 -19.93 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.077 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -78.13 2.76 16.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.534 -0.729 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -106.44 -2.97 21.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.668 0.27 . . . . 0.0 111.328 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -57.58 -29.8 64.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 29' ' ' GLU . 15.8 mt-10 -57.79 -47.9 81.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.259 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -78.23 -36.08 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.896 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.2 -49.24 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.99 -30.75 62.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.15 63.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.99 0.424 . . . . 0.0 110.723 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.71 -5.72 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.377 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.62 -0.86 52.77 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.217 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -94.14 75.11 4.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.399 0.619 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -84.82 -72.39 0.48 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.47 152.36 45.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -56.93 -35.75 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.85 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -28.83 68.19 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -85.09 -36.68 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 45' ' ' MET . 68.1 t -62.67 -40.4 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG12 ' HB3' ' A' ' 71' ' ' LEU . 18.3 m -73.13 -12.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 11.0 mm-40 -85.9 -18.63 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.3 ptp -66.75 -176.77 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -144.26 -175.4 4.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -56.76 -46.19 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.69 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.42 -43.31 75.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.634 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.76 -39.28 77.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.265 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.908 HD11 HD12 ' A' ' 68' ' ' LEU . 93.1 mt -56.15 -33.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 123.108 0.563 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -87.12 -38.27 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.409 0.623 . . . . 0.0 109.971 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -62.7 -34.68 77.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 pt -76.11 2.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.98 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.09 -75.22 0.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.456 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 t -28.37 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.26 -1.72 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.375 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 32.8 mt -90.02 126.96 55.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.244 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.76 -50.68 9.81 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.57 2.846 . . . . 0.0 114.346 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.73 -38.42 96.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.934 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 19.2 m80 -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 50' ' ' ILE . 30.9 mt-30 -74.38 -59.18 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.055 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -33.92 -52.13 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.491 1.119 . . . . 0.0 112.553 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -56.01 24.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.116 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.7 -44.46 93.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.92 79.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.85 -49.44 76.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 110.289 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -65.16 -29.63 70.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.979 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.908 HD12 HD11 ' A' ' 50' ' ' ILE . 8.8 mt -66.0 -38.1 87.62 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.709 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.62 -37.45 78.66 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.14 -42.29 76.93 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.738 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.61 ' HB3' HG12 ' A' ' 43' ' ' VAL . 9.3 mt -62.29 -43.78 98.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.301 . . . . 0.0 111.042 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 75' ' ' VAL . 66.7 mttm -62.94 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -38.93 79.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 110.676 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -63.63 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.65 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.6 p -71.89 -11.77 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.141 0.495 . . . . 0.0 111.048 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.2 -5.26 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.469 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.431 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -53.16 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.983 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.15 28.01 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -75.33 -48.58 22.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.99 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.15 -35.54 75.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.305 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.407 ' HD2' ' OE2' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -51.68 -7.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 177.407 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.65 -22.21 51.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.472 HD13 ' OG1' ' B' ' 81' ' ' THR . 8.1 pt -132.7 22.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.642 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.08 49.22 37.22 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.46 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.13 17.79 10.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' B' ' 34' ' ' ARG . 12.4 pm0 -57.48 -21.11 35.3 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.74 -12.64 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.559 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.502 ' CE1' HG22 ' B' ' 69' ' ' VAL . 2.6 m-85 -95.16 -18.0 21.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -48.74 -59.96 3.12 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -45.16 -42.56 9.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.282 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.71 -42.81 53.24 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.241 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 73.5 mt -61.09 -52.52 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.047 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 99.2 t -51.82 -37.49 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -59.84 -55.63 31.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.684 0.278 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -55.33 -67.54 0.27 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.128 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 163.51 36.4 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.464 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 10.8 m95 -121.82 58.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -94.08 28.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.931 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -145.93 -173.13 4.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.007 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.93 -22.04 2.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.864 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.79 -58.5 7.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.155 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.42 0.02 56.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.465 . . . . 0.0 109.929 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 tp -75.97 -15.21 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.638 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -30.4 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.92 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -98.27 75.69 2.28 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.32 148.72 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.312 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -110.17 172.95 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -64.49 -31.98 73.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.176 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.89 -47.32 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.754 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -55.67 -49.08 73.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.093 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.404 HD22 HD13 ' B' ' 78' ' ' LEU . 80.6 mt -55.23 -57.99 9.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.453 0.168 . . . . 0.0 110.957 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -36.64 7.47 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.006 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -60.17 -27.47 67.15 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.55 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.27 1.22 57.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.916 0.388 . . . . 0.0 111.191 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.22 12.36 29.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.795 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' B' ' 41' ' ' TYR . 4.6 t -93.12 66.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 110.184 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -87.31 -9.2 55.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.94 131.98 78.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.28 -43.72 13.78 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.882 2.388 . . . . 0.0 113.119 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -65.04 -42.45 94.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.9 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -62.1 -41.79 98.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -64.87 -54.29 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.13 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -53.77 -46.77 71.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.882 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -63.41 -44.51 94.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.132 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.404 HD13 HD22 ' B' ' 64' ' ' LEU . 0.5 OUTLIER -57.49 -50.0 74.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.693 0.283 . . . . 0.0 110.496 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 mp -55.46 -43.46 75.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.177 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.83 -39.84 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.472 ' OG1' HD13 ' B' ' 36' ' ' ILE . 30.5 m -61.62 -38.64 88.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.383 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.58 -43.79 93.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.01 -46.59 80.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.132 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.751 179.283 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.74 0.305 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -61.35 -33.25 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.516 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -51.16 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -63.99 -32.73 74.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.608 0.242 . . . . 0.0 111.251 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -64.5 -47.16 79.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.217 0.532 . . . . 0.0 109.705 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.37 -8.32 55.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.21 -41.57 15.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.754 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.4 p -78.98 52.57 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -178.27 -15.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.504 1.122 . . . . 0.0 108.58 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HE3' ' OD2' ' B' ' 52' ' ' ASP . 71.1 mmtt 65.97 40.74 3.97 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.1 mmt -113.57 24.65 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.455 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -26.49 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.706 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -80.91 -8.38 59.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.217 0.917 . . . . 0.0 111.621 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -86.86 -3.52 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.766 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -63.13 -38.87 92.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.324 0.583 . . . . 0.0 109.709 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.33 49.67 1.61 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.413 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.03 -51.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.313 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.83 -39.89 94.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 41.1 mtt -75.62 -9.05 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.436 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.05 -10.15 31.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.07 -3.97 40.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.697 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.62 -7.33 29.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.959 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -88.35 80.08 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 4.96 41.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.168 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.44 159.32 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 111.123 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.51 -41.64 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -32.04 72.74 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.168 -0.333 . . . . 0.0 111.211 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -80.32 -30.96 38.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.999 0.428 . . . . 0.0 110.1 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 38' ' ' ALA . 64.4 t -63.35 -38.44 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.805 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.04 -7.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.334 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.75 -28.88 36.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.0 ptp -68.64 -176.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -135.13 -177.56 4.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -57.86 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.12 -26.62 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' HB2' ' H ' ' A' ' 46' ' ' THR . 1.4 t70 -59.04 -39.77 83.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.092 0.472 . . . . 0.0 110.663 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.749 HD11 HD12 ' A' ' 68' ' ' LEU . 92.9 mt -59.03 -33.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 123.24 0.616 . . . . 0.0 111.024 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -78.89 -13.57 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.542 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -90.94 -39.06 12.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.953 0.406 . . . . 0.0 110.205 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 pt -78.47 16.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.863 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.22 -98.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.508 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -11.0 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.506 1.522 . . . . 0.0 114.725 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.05 -17.18 25.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 110.988 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' B' ' 47' ' ' HIS . 57.9 mt -82.09 125.48 77.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -60.49 -37.57 79.79 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.953 2.436 . . . . 0.0 112.746 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -68.91 -38.01 84.35 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -66.81 -29.81 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -67.12 -64.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.646 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -40.15 -45.06 1.94 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.15 0.906 . . . . 0.0 112.649 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.86 -53.68 55.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.413 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.96 -46.49 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.033 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.72 84.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.37 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -57.65 -48.34 79.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -77.45 -7.2 55.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.791 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.749 HD12 HD11 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -89.29 -40.84 12.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.032 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.77 -36.08 78.07 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.94 93.45 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.714 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.43 -44.09 80.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.733 0.267 . . . . 0.0 110.671 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -61.76 -44.23 97.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.2 -41.93 85.0 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.613 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -62.46 -39.7 94.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.754 0.312 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.74 -13.86 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.431 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -10.56 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.083 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.071 179.302 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -53.0 62.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.418 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.55 67.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -68.44 -55.99 9.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.512 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.429 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 22.8 mt -61.38 -28.25 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.554 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 3.4 tpp180 -55.04 -21.92 14.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.626 0.371 . . . . 0.0 111.463 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.54 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.235 0.541 . . . . 0.0 110.372 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 pt -120.07 21.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.451 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.44 38.83 28.24 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.981 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 41' ' ' TYR . 0.9 OUTLIER -115.52 16.57 16.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.255 0.527 . . . . 0.0 110.587 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.429 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -54.94 -27.63 44.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.593 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -70.31 -3.13 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.853 0.359 . . . . 0.0 111.841 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' B' ' 38' ' ' LEU . 3.4 m-85 -91.66 -19.65 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.347 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 46' ' ' VAL . 73.0 tt0 -53.9 -27.54 31.05 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.714 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.55 -47.1 85.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.045 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.31 -31.28 59.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.3 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.54 19.3 0.37 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 42' ' ' GLU . 2.9 t -101.9 -24.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.496 0.665 . . . . 0.0 110.253 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 57' ' ' LEU . 25.1 m80 -75.7 -16.52 60.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.365 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.597 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.1 OUTLIER -101.15 -8.06 22.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.554 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.25 23.22 45.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.738 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.597 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 69.1 m95 -85.16 42.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.222 0.534 . . . . 0.0 110.08 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -7.98 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.64 0.734 . . . . 0.0 109.69 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.474 ' OD2' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -110.99 147.55 34.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.99 -21.21 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.51 -57.32 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.556 0.217 . . . . 0.0 111.539 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -71.56 -24.61 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.29 -19.52 65.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.217 0.532 . . . . 0.0 110.076 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.5 m -72.78 -3.33 24.68 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.091 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.42 21.73 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.335 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.4 tt -71.31 130.65 35.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.3 p -96.63 173.16 7.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.47 -28.47 69.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' B' ' 65' ' ' GLU . 22.3 mm-40 -68.55 -49.19 61.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.476 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -54.99 -45.25 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.452 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 mt -56.48 -62.2 1.88 Allowed 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 1.7 pp20? -46.16 -36.93 6.4 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.21 -33.97 71.61 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 111.508 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.57 4.81 34.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.1 -14.34 51.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.497 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.57 75.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.0 109.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.4 -4.44 26.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 11.2 t70 -73.29 131.14 83.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.78 -53.21 6.42 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.46 2.774 . . . . 0.0 113.825 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.39 88.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.572 0.225 . . . . 0.0 111.58 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 32.9 m170 -60.39 -41.84 94.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.3 -51.07 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.237 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -55.83 -46.38 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.55 -43.71 96.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.029 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -44.29 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -56.79 -37.4 71.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.963 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.71 -35.47 65.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.7 m -62.04 -32.66 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.575 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.6 -38.13 63.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.049 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -84.04 -54.91 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.111 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.75 0.31 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 t -52.18 -41.88 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.768 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.23 75.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.946 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 21.0 mt-10 -62.34 -43.81 97.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -66.29 -44.29 83.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 0.0 109.579 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.34 -28.51 69.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.825 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 1.6 pp20? -84.72 -38.72 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -53.35 -35.28 60.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.947 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.404 ' HA ' ' CE1' ' B' ' 55' ' ' PHE . 25.3 pt -93.59 3.91 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 59.98 40.25 19.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.9 0.381 . . . . 0.0 111.5 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.43 ' SD ' ' HE2' ' A' ' 27' ' ' TYR . 16.1 mmt -128.73 31.44 4.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.87 -12.32 61.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.156 -1.383 . . . . 0.0 113.474 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -80.34 1.2 29.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.656 -0.652 . . . . 0.0 111.451 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' HE2' ' SD ' ' A' ' 24' ' ' MET . 77.9 m-85 -106.46 2.92 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.206 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -59.78 -31.8 70.01 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.596 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.74 -44.75 93.65 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.765 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -73.0 -39.01 66.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.539 0.685 . . . . 0.0 111.21 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.528 ' SD ' HG22 ' A' ' 37' ' ' THR . 18.3 mmt -68.28 -30.93 70.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.971 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.12 -20.09 42.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.558 0.218 . . . . 0.0 111.424 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.32 0.49 48.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.47 -10.05 64.88 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.854 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -88.55 75.44 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.493 0.663 . . . . 0.0 109.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.528 HG22 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -95.92 4.49 52.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.229 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -155.01 158.38 39.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.575 0.226 . . . . 0.0 110.545 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.22 -42.56 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.4 mp0 -56.02 -38.96 71.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.882 0.373 . . . . 0.0 111.316 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.64 -37.77 35.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.154 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 45' ' ' MET . 73.7 t -59.78 -43.52 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.242 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 34.7 m -75.17 -7.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 24.0 mt-30 -87.84 -22.52 24.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.617 0.246 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.0 ptp -66.92 177.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.364 0.602 . . . . 0.0 111.5 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 48' ' ' ASP . 12.1 t -133.96 178.7 6.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.408 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -55.41 -38.5 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 111.628 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' H ' HG23 ' A' ' 46' ' ' THR . 12.2 t70 -59.2 -39.45 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -58.71 -37.49 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.936 HD11 HD11 ' A' ' 68' ' ' LEU . 41.8 mm -58.13 -30.98 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 121.164 0.507 . . . . 0.0 111.016 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -89.82 -20.42 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.486 . . . . 0.0 110.731 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -82.25 -34.52 28.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.7 pt -73.21 -3.26 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.145 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.38 -82.42 0.31 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.019 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -19.37 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.05 1.34 . . . . 0.0 114.366 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -6.77 30.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.826 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.473 HD23 ' HD2' ' A' ' 58' ' ' PRO . 3.5 mt -75.66 117.35 62.92 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' HD23 ' A' ' 57' ' ' LEU . 18.6 Cg_endo -58.55 -44.65 35.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.54 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -59.44 -43.42 97.47 Favored Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.133 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.8 -23.24 66.66 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 37.8 mt-30 -79.29 -11.44 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.846 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -91.77 -48.14 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.569 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -36.15 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.512 HG21 HD12 ' A' ' 50' ' ' ILE . 87.1 mt -71.21 -43.94 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.065 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -61.0 -37.89 84.12 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.268 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -56.99 11.75 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.678 0.752 . . . . 0.0 110.684 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -66.05 -39.65 90.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.405 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.936 HD11 HD11 ' A' ' 50' ' ' ILE . 14.3 mt -53.5 -45.54 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.248 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.0 mt -58.86 -42.31 89.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.202 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.13 -44.17 96.12 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.805 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.45 -40.87 83.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 43' ' ' VAL . 97.0 mttt -66.74 -42.07 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.08 -36.47 83.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.48 -41.14 98.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.836 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.2 p -74.01 -16.81 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.308 0.575 . . . . 0.0 110.623 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.94 -16.95 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.603 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.529 ' SD ' HD22 ' B' ' 56' ' ' LEU . 24.4 ptt? . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -56.61 19.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.1 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -74.65 -30.4 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.97 -23.25 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.654 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.511 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -52.55 -22.63 5.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 178.005 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.28 -37.55 72.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.757 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 pt -122.91 22.36 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.71 45.18 39.26 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.486 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.0 13.0 13.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.835 0.318 . . . . 0.0 111.348 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.511 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 11.4 pm0 -54.33 -25.51 24.38 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -68.59 -5.38 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -100.42 -19.62 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -45.47 -62.31 1.33 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.652 0.263 . . . . 0.0 111.705 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -43.58 -45.29 6.62 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.194 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.98 -31.36 75.15 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.88 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 2.8 mt -75.98 -58.37 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.504 0.192 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' B' ' 51' ' ' ASP . 41.9 t -29.83 -51.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -52.45 -33.29 43.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.54 ' HA ' ' C ' ' A' ' 59' ' ' GLY . 2.3 m-20 -94.97 16.79 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.94 46.18 4.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.111 -1.043 . . . . 0.0 112.418 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.409 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 79.2 m95 -129.74 31.39 4.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.6 0.714 . . . . 0.0 109.099 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.445 ' HB3' HG13 ' B' ' 46' ' ' VAL . 15.2 p-10 -87.83 -6.27 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.424 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -113.7 128.22 56.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.942 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.68 -32.37 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.282 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -19.1 62.11 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.199 0.523 . . . . 0.0 110.725 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 22' ' ' ILE . 19.5 t80 -93.65 -34.57 13.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.794 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.529 HD22 ' SD ' ' B' ' 29' ' ' MET . 5.8 tp -67.9 -23.91 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.521 ' HA ' HD22 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -70.19 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.347 . . . . 0.0 111.312 -179.715 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -108.3 17.2 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 110.62 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -69.62 148.55 11.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.065 0.46 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -102.6 170.22 8.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.07 -6.73 47.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.532 . . . . 0.0 109.957 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -100.88 -47.82 4.67 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.653 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 5.5 m-20 -56.48 -28.08 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.437 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.419 HD21 HD22 ' B' ' 78' ' ' LEU . 11.6 mt -55.03 -50.88 67.96 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.406 -0.184 . . . . 0.0 110.929 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.15 -36.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.739 0.649 . . . . 0.0 111.934 177.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.653 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 0.2 OUTLIER -49.91 -36.89 29.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.68 9.37 30.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.26 -3.31 63.95 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.86 77.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.143 0.497 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.444 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 83.0 mt-30 -104.14 15.89 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -96.33 132.28 26.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.49 -48.66 14.47 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.095 2.53 . . . . 0.0 113.443 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.99 83.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.577 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -59.62 -45.95 90.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.647 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.56 -51.36 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 0.0 110.549 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -55.56 -46.07 77.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.285 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.83 -41.93 98.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.391 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.419 HD22 HD21 ' B' ' 64' ' ' LEU . 2.4 tt -61.44 -48.95 78.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.664 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.54 -40.85 79.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.372 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.38 -38.73 85.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 0.0 110.357 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -66.44 -35.41 80.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.187 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 57' ' ' SER . 32.5 mt -54.01 -40.65 67.17 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 120.882 0.373 . . . . 0.0 111.014 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -76.8 -46.68 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.776 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.278 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.31 -47.38 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -45.2 87.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.914 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.16 -37.21 84.35 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.047 0.451 . . . . 0.0 110.288 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 67' ' ' SER . 63.1 t90 -68.05 -46.26 71.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.823 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.94 -37.13 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.844 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.82 -40.6 97.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.51 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 pt -90.56 -0.99 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 122.127 -0.358 . . . . 0.0 110.938 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HG3' ' CG ' ' B' ' 52' ' ' ASP . 71.7 mmtt 67.85 26.44 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.579 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 37.5 mmt -103.62 31.72 4.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.92 -35.55 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.23 -0.896 . . . . 0.0 113.315 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -73.81 -4.57 35.57 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 121.4 -0.813 . . . . 0.0 112.297 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 69.0 m-85 -92.95 1.59 57.22 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.724 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m -61.98 -32.68 73.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.68 46.34 1.15 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.898 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 50.2 m80 -155.24 -56.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.462 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -59.3 -45.68 90.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.267 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.511 ' SD ' HG22 ' A' ' 37' ' ' THR . 22.8 mmt -63.35 -33.4 75.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.94 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.59 -17.82 43.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 111.515 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.77 0.9 55.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.753 0.311 . . . . 0.0 111.381 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.23 76.77 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.511 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -92.04 69.99 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.511 HG22 ' SD ' ' A' ' 32' ' ' MET . 15.6 p -82.04 -75.23 0.31 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.232 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . . . -69.22 153.25 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.926 0.393 . . . . 0.0 111.431 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.85 -38.45 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 2.5 mp0 -59.34 -30.64 68.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.766 0.317 . . . . 0.0 110.901 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HE2' ' HB3' ' A' ' 38' ' ' ALA . 2.4 mppt? -83.56 -35.58 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 45' ' ' MET . 91.6 t -60.63 -39.63 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.857 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 71' ' ' LEU . 19.8 m -75.41 -11.77 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 76.6 mt-30 -85.36 -18.87 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.386 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 7.6 ptp -65.53 174.93 1.99 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.015 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 11.0 t -129.2 174.64 9.39 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.14 -43.93 82.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.843 0.354 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.88 -35.27 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' THR . 37.5 m-20 -56.91 -41.89 78.95 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.876 HD12 HG21 ' A' ' 64' ' ' ILE . 41.7 mm -56.43 -34.46 41.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.658 0.742 . . . . 0.0 110.962 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -85.72 -14.36 45.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.343 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -94.38 -30.52 14.44 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.369 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.2 pt -76.13 6.33 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.924 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.14 -82.04 0.31 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.054 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 27' ' ' TYR . 1.9 t -24.34 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -103.35 -5.33 23.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.759 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.1 mt -86.11 127.1 63.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.444 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.22 -46.24 35.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.746 2.964 . . . . 0.0 114.013 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.59 -38.81 78.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.402 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 37.9 m-70 -63.84 -31.97 73.33 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -69.69 -58.04 4.41 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.49 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -36.48 -51.68 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.896 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -58.25 7.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.876 HG21 HD12 ' A' ' 50' ' ' ILE . 56.7 mt -61.3 -49.66 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.621 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -55.36 -39.56 70.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.709 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.98 -55.84 28.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.368 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.432 ' HB2' ' NE1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -58.42 -35.16 71.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.701 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 50' ' ' ILE . 33.4 mt -62.12 -39.73 93.52 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 45.3 mt -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.271 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.32 89.69 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.508 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' A' ' 43' ' ' VAL . 26.6 mt -57.0 -45.77 82.79 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.631 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 75' ' ' VAL . 26.4 mttt -64.92 -40.91 95.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.45 -43.7 89.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -59.08 -45.13 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.797 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.0 p -71.25 -13.77 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 111.641 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -94.01 -5.17 48.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.182 0.515 . . . . 0.0 110.375 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.053 178.806 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptt? . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.391 0.139 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -49.14 78.35 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.58 44.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.848 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.45 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 30.7 t90 -76.79 -47.21 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.45 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 59.8 mt -80.05 29.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 13.1 tpp180 -109.47 1.21 19.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.77 -11.12 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.894 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.412 HD13 ' OG1' ' B' ' 81' ' ' THR . 15.1 pt -134.65 17.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.95 54.25 19.25 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.579 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -126.67 10.77 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.773 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pm0 -59.23 -25.54 64.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.392 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -10.48 56.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.22 -9.97 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.38 -62.55 1.43 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -46.82 -40.42 13.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.31 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.81 -38.42 96.13 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.397 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.55 -47.56 26.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.457 0.17 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 73.4 t -44.91 -36.22 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -18.96 46.62 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.506 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 74.3 m-20 -108.78 26.23 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.49 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.402 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 69.57 49.5 37.03 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.257 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -121.22 31.43 6.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 110.269 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.18 41.05 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.81 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -152.5 174.33 14.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.094 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.42 -16.83 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.629 0.252 . . . . 0.0 111.476 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.74 -49.81 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.268 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.34 -30.95 63.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.7 -15.27 63.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -66.02 -22.68 66.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -125.22 60.91 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.485 0.659 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -94.02 151.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.997 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -100.12 162.06 13.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.88 -27.43 68.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.77 -45.79 70.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.19 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -43.67 78.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.487 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 67.5 mt -57.11 -54.78 42.84 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.96 31.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.822 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -65.73 -11.15 43.12 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.55 -0.77 31.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.675 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 -11.51 33.16 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.737 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.2 t -83.73 74.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.317 0.579 . . . . 0.0 110.203 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -92.86 2.11 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -84.19 129.31 58.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.3 -43.18 29.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.983 2.455 . . . . 0.0 113.104 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -63.72 -48.7 76.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.555 0.217 . . . . 0.0 111.397 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -62.37 -37.72 86.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.607 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -64.02 -57.27 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.78 -43.9 69.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.498 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -57.99 -48.4 80.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.99 -48.09 83.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.93 -45.1 74.76 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -40.14 91.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.412 ' OG1' HD13 ' B' ' 36' ' ' ILE . 29.9 m -65.53 -38.59 90.09 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.76 -48.19 80.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -67.5 -40.36 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 178.679 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.323 0.106 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 t -52.35 -40.0 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 123.406 0.441 . . . . 0.0 111.526 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.884 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.66 -34.29 69.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -67.47 -41.81 84.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.6 mt -73.18 -26.09 61.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.033 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.28 -48.01 74.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -51.15 50.33 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.43 5.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 O-C-N 121.943 -0.473 . . . . 0.0 111.467 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HG3' ' HB2' ' B' ' 55' ' ' PHE . 14.9 mmtp 59.67 40.36 20.05 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.41 0.624 . . . . 0.0 111.651 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 mmt -111.86 32.79 5.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -57.83 -30.41 65.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.68 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pm0 -77.91 -9.92 59.32 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 121.918 -0.489 . . . . 0.0 111.536 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.74 -3.01 58.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 110.82 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -66.27 -26.24 67.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 109.764 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -83.88 48.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.308 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -44.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.469 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -59.83 -44.46 94.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.607 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.702 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 25.9 mmt -71.69 -25.29 62.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.298 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -18.08 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 0.0 110.85 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.2 -4.36 59.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.551 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.6 -10.02 55.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.738 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -87.09 76.57 9.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.3 0.571 . . . . 0.0 109.721 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.702 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -95.18 5.82 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.613 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.08 156.78 39.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.73 0.3 . . . . 0.0 110.861 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -53.98 -42.25 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.8 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.69 -33.98 76.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.236 -178.525 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -78.56 -35.81 45.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.6 t -61.62 -37.92 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.288 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.591 HG12 ' HB3' ' A' ' 71' ' ' LEU . 17.1 m -75.49 -12.19 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.638 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -82.45 -25.67 33.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.817 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.567 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.0 ptp -65.5 173.66 2.59 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.416 HG22 ' OD2' ' A' ' 49' ' ' ASP . 6.6 t -132.62 -179.09 5.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.18 -44.01 71.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.655 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' H ' HG23 ' A' ' 46' ' ' THR . 25.9 t70 -59.77 -39.51 85.09 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' A' ' 46' ' ' THR . 5.1 m-20 -54.05 -45.35 71.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.749 0.309 . . . . 0.0 111.273 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.874 HD12 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -56.04 -42.16 71.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 123.738 0.815 . . . . 0.0 110.997 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -81.6 -11.08 59.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.702 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -95.62 -36.05 11.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -76.41 18.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.136 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.17 -93.28 0.41 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.081 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -9.09 81.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.641 1.577 . . . . 0.0 114.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -88.84 -16.22 32.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' B' ' 47' ' ' HIS . 41.5 mt -76.19 119.47 77.43 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 13.9 Cg_endo -55.52 -39.93 88.27 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.137 2.558 . . . . 0.0 113.598 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.553 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -64.31 -46.2 91.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.41 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.434 ' CD2' HD12 ' A' ' 57' ' ' LEU . 23.7 m-70 -63.21 -31.58 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -61.83 -66.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.81 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -39.04 -46.68 1.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.09 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -59.79 -46.43 89.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.897 179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.874 HG21 HD12 ' A' ' 50' ' ' ILE . 93.4 mt -68.39 -44.77 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -60.44 -39.07 86.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.053 0.454 . . . . 0.0 110.945 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -67.03 -41.01 87.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 m -68.44 -29.63 68.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.092 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 50' ' ' ILE . 15.8 mt -66.57 -36.39 82.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.425 0.155 . . . . 0.0 111.417 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 42.4 mt -60.98 -38.44 85.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.84 96.45 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.469 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.591 ' HB3' HG12 ' A' ' 43' ' ' VAL . 12.7 mt -60.84 -46.47 90.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.885 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.499 ' O ' HG12 ' A' ' 75' ' ' VAL . 37.7 mttm -63.24 -39.97 96.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.11 -43.11 93.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.92 -37.65 87.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.6 p -75.86 -10.06 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.253 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -89.85 -11.63 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptt? . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -53.36 59.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.052 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.21 65.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.177 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -68.51 -50.88 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.025 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.489 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -60.05 -6.23 1.3 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.3 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 pt -127.84 27.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.187 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.42 51.65 21.07 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.916 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 12.97 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.038 0.419 . . . . 0.0 111.654 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -53.08 -24.46 10.11 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.95 -11.46 60.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -87.81 -22.92 24.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.48 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.466 ' O ' HG23 ' B' ' 46' ' ' VAL . 29.9 tt0 -48.71 -51.42 28.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.197 0.31 . . . . 0.0 110.946 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -43.62 -46.11 7.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.642 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.74 60.33 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.551 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.15 24.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.467 0.307 . . . . 0.0 111.645 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 42' ' ' GLU . 46.2 t -104.13 -38.26 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.646 ' HA ' HD13 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -71.11 -4.85 27.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.692 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.553 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 2.2 m120 -114.87 3.95 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.199 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.69 38.55 61.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.711 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -109.92 19.55 18.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.431 0.634 . . . . 0.0 109.512 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.05 -19.22 40.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.998 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.13 112.61 20.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.632 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 30.8 mt -58.44 -37.06 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -62.03 -38.11 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.554 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t80 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 tp -61.69 -24.93 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -68.66 -11.96 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -117.73 16.87 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.942 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.3 144.24 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.008 0.432 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -92.81 177.18 6.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.91 -6.57 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -94.38 -43.88 8.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.022 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.16 -33.24 51.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.609 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.25 -57.05 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -42.7 -34.21 0.86 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 1.2 mm-40 -56.18 -40.08 73.39 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.06 20.5 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.878 0.371 . . . . 0.0 111.499 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.07 84.83 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.549 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 62.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.49 0.662 . . . . 0.0 110.132 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.17 23.37 9.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.936 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -107.39 133.9 20.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.381 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.04 -52.07 8.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.239 2.626 . . . . 0.0 113.307 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.59 89.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.714 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -62.36 -44.71 95.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -61.18 -52.14 66.08 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.38 -49.38 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.032 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.16 -47.43 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.787 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -48.76 80.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 110.339 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' B' ' 82' ' ' LEU . 6.0 tp -56.17 -41.73 75.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.91 -39.39 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.9 m -62.5 -35.44 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.216 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 79' ' ' LEU . 78.9 mt -53.66 -39.76 65.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.53 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -80.21 -52.04 8.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.403 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.685 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.709 0.29 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' H ' HG23 ' A' ' 15' ' ' VAL . 15.3 t -49.07 -41.96 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.958 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -40.95 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.863 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mt-10 -63.88 -35.16 79.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 111.339 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -72.86 -36.13 67.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.161 0.505 . . . . 0.0 109.961 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -75.53 -38.54 59.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.569 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -69.64 -39.34 77.17 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -58.5 -41.05 84.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 pt -86.84 3.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.176 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 19.7 mmtp 58.57 42.55 20.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.183 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.32 26.64 9.08 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.043 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -75.37 -2.77 30.02 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 119.084 0.856 . . . . 0.0 111.327 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' HG22 ' A' ' 55' ' ' VAL . 73.7 m-85 -92.43 8.55 38.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 0.0 110.186 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -71.71 -27.38 62.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.46 43.81 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.672 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -160.39 -51.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.28 -41.05 79.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.222 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.546 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 24.7 mmt -72.6 -24.53 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.19 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -24.57 40.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.066 0.46 . . . . 0.0 110.695 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.6 -3.06 52.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.068 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.29 -3.72 61.88 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.07 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.45 77.46 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.43 0.634 . . . . 0.0 109.505 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.546 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.5 p -97.7 5.44 49.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.885 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -149.58 153.69 37.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.6 mm -58.65 -34.96 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.65 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.68 -32.36 73.42 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.526 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -79.66 -38.19 34.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' A' ' 45' ' ' MET . 75.7 t -58.3 -41.26 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.403 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 71' ' ' LEU . 29.3 m -74.12 -16.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.564 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -82.47 -26.04 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 7.9 ptp -66.68 176.87 1.79 Allowed 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.3 t -136.18 178.15 7.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.29 -36.04 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.9 78.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.084 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.11 -48.67 78.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -53.67 -43.46 55.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 C-N-CA 123.614 0.766 . . . . 0.0 111.008 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -77.73 -10.25 59.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.043 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -103.42 -34.88 8.57 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -76.13 15.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.44 -94.31 0.35 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.944 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 27' ' ' TYR . 1.6 t -10.6 87.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.527 1.531 . . . . 0.0 114.486 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -93.92 -15.57 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.568 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 57' ' ' LEU . 37.7 mt -75.32 129.52 82.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.71 -47.72 22.19 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.564 2.843 . . . . 0.0 113.816 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.59 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.61 -34.96 73.75 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 120.061 -1.066 . . . . 0.0 112.852 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -65.03 -29.81 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.767 0.794 . . . . 0.0 109.071 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -72.66 -64.57 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.97 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -35.88 -48.49 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.196 0.935 . . . . 0.0 112.917 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.541 ' HD3' ' CE2' ' B' ' 55' ' ' PHE . 0.1 OUTLIER -58.17 -49.06 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.053 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.89 HG21 HD12 ' A' ' 50' ' ' ILE . 90.0 mt -65.9 -47.51 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.224 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.75 81.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.071 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -54.97 -49.95 70.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.437 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -62.6 -33.58 75.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.86 -38.78 92.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.82 -41.13 90.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.22 91.35 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.826 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' HB3' HG12 ' A' ' 43' ' ' VAL . 43.2 mt -57.87 -45.3 86.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.762 0.315 . . . . 0.0 110.985 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 mttm -61.82 -43.19 99.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.0 -42.35 94.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.26 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 15.2 mm-40 -58.55 -42.88 88.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.953 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.5 p -74.02 -10.01 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.398 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.45 -15.85 23.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 110.528 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.56 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -56.67 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.6 -27.02 57.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.107 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -75.64 -57.46 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' B' ' 42' ' ' GLU . 83.4 mt -59.52 -31.63 69.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.0 -10.16 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -29.24 65.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.042 0.449 . . . . 0.0 109.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 pt -129.84 27.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.71 49.0 17.39 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 113.659 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.35 14.13 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.486 -0.42 . . . . 0.0 111.501 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -55.36 -25.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.084 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -69.56 -0.4 6.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.634 0.254 . . . . 0.0 111.547 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -105.31 -21.48 13.23 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.455 -0.153 . . . . 0.0 111.375 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.43 ' HB2' HD12 ' B' ' 33' ' ' LEU . 68.8 tt0 -48.0 -52.83 18.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.311 0.382 . . . . 0.0 110.921 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -48.05 7.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.372 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.42 44.73 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.747 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.8 -58.89 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.363 0.125 . . . . 0.0 111.208 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -44.75 -37.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.86 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.59 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 1.4 m-80 -112.95 27.24 9.79 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.373 -0.531 . . . . 0.0 112.061 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.6 54.79 4.85 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.205 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -133.01 34.21 3.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.486 0.66 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -78.34 -17.28 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.583 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' HG3' ' A' ' 23' ' ' LYS . 29.1 t70 -104.42 127.74 52.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.04 -29.7 60.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.437 ' HB2' ' HZ2' ' A' ' 23' ' ' LYS . 18.0 mt-10 -63.02 -44.39 96.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.225 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' PHE . . . . . 0.541 ' CE2' ' HD3' ' A' ' 63' ' ' ARG . 31.8 t80 -73.48 -28.9 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.5 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.4 -24.56 66.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -16.55 64.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -112.02 24.51 12.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.901 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.0 tt -76.36 148.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.148 0.499 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.8 p -102.34 166.23 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.137 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.88 -15.01 62.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.11 -52.8 6.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.573 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -22.38 65.98 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.4 -51.38 69.66 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -41.28 -37.66 1.01 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.71 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -54.7 -33.58 61.13 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.69 10.7 24.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.87 0.367 . . . . 0.0 111.567 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.03 -4.15 70.94 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.304 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.64 71.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.054 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.64 -8.23 35.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.715 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -76.44 128.6 81.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.76 -46.15 31.62 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.148 2.565 . . . . 0.0 113.367 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.0 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.618 0.247 . . . . 0.0 111.552 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -60.29 -39.03 85.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.85 -54.75 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 109.756 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -54.97 -44.86 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.924 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.47 -47.55 83.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.387 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -49.26 77.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.355 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' B' ' 82' ' ' LEU . 1.2 mp -54.88 -43.03 72.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.244 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.98 -41.64 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.05 0.453 . . . . 0.0 110.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 m -64.74 -34.34 78.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.429 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' B' ' 79' ' ' LEU . 83.4 mt -53.95 -47.77 70.94 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 120.736 0.303 . . . . 0.0 110.998 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -73.96 -45.72 48.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.785 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -179.717 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.68 -39.27 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -50.74 71.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.43 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.42 -31.64 71.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.851 0.358 . . . . 0.0 111.6 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.178 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -79.36 -33.25 43.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.862 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.56 -45.54 86.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.972 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.19 -40.41 67.53 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -88.47 5.04 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.85 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt 67.77 35.08 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.555 0.742 . . . . 0.0 111.87 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 mmt -114.22 25.58 10.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -27.4 38.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.01 -0.996 . . . . 0.0 113.103 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -82.11 -4.38 56.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.542 0.61 . . . . 0.0 111.809 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CD1' HG22 ' A' ' 55' ' ' VAL . 74.1 m-85 -96.74 2.31 51.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 m -64.34 -32.38 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.794 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.07 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.82 0.819 . . . . 0.0 109.638 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.037 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.2 -41.6 98.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 110.578 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtt -61.68 -45.51 93.69 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.545 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.8 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 110.756 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 -20.34 60.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.497 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.6 44.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.734 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.19 73.67 4.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.159 0.504 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.6 13.72 33.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -148.77 146.26 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.361 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.9 mm -53.66 -43.29 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.23 -27.42 69.04 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.53 -178.504 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 19.9 mttp -84.99 -34.68 22.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.744 0.307 . . . . 0.0 110.714 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.7 t -59.7 -36.91 68.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.75 -5.3 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 41' ' ' LYS . 77.0 mt-30 -83.68 -24.41 31.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.649 0.261 . . . . 0.0 110.749 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.602 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 12.2 ptp -64.67 179.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 111.555 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 t -139.22 176.08 9.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.79 -52.36 60.51 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.349 0.406 . . . . 0.0 111.814 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.54 -36.41 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 111.584 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -62.53 -37.75 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.299 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.85 HD11 ' CD1' ' A' ' 68' ' ' LEU . 93.2 mt -60.02 -28.96 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.592 0 CA-C-O 121.583 0.706 . . . . 0.0 111.018 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 61' ' ' GLN . 16.4 mtpp -86.72 -13.94 43.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.294 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 52' ' ' ARG . 15.4 ttp85 -91.2 -38.49 12.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.2 pt -70.34 11.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.689 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.38 -85.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.955 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 55' ' ' VAL . 3.5 t -23.93 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.552 1.141 . . . . 0.0 113.842 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -97.23 -11.55 24.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 58' ' ' PRO . 80.5 mt -78.19 120.63 81.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.105 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -59.0 -42.24 53.76 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.207 2.604 . . . . 0.0 113.331 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.442 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -68.93 -31.59 72.78 Favored Glycine 0 N--CA 1.44 -1.058 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.105 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -71.76 -30.08 65.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG2' HG22 ' A' ' 50' ' ' ILE . 32.0 mt-30 -68.21 -62.29 1.46 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.18 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -43.44 -43.16 5.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.752 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.63 -52.93 63.4 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.22 0.533 . . . . 0.0 109.903 178.597 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.72 -43.58 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.269 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.46 -37.62 73.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.369 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.569 0.7 . . . . 0.0 110.322 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 m -71.26 -24.2 62.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.899 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.85 ' CD1' HD11 ' A' ' 50' ' ' ILE . 12.9 mt -71.23 -32.83 69.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.6 mt -64.61 -42.1 95.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.75 -45.98 94.82 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.061 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.41 -43.78 88.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 111.446 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 75' ' ' VAL . 58.9 mttm -65.89 -38.66 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.28 -41.27 73.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.296 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -66.81 -35.73 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.518 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.4 p -72.62 -17.82 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.374 0.607 . . . . 0.0 110.126 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -92.56 -8.91 43.03 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.203 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -59.99 -49.57 77.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.165 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.35 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.676 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -69.21 -42.56 75.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.955 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.8 -28.02 60.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.153 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.472 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 6.0 tpp180 -59.68 -22.29 61.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.983 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.67 68.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.589 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.421 HD13 ' OG1' ' B' ' 81' ' ' THR . 14.9 pt -121.48 17.73 5.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.686 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.85 46.16 60.58 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.49 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.57 14.17 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.933 0.366 . . . . 0.0 110.972 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.472 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 2.9 pm0 -53.37 -21.61 6.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -72.27 -15.16 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -86.38 -22.87 26.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.483 ' O ' HG23 ' B' ' 46' ' ' VAL . 70.9 tt0 -49.75 -31.17 10.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.0 -48.27 73.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.88 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.17 -28.9 55.2 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.796 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.14 14.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 42' ' ' GLU . 49.0 t -102.63 -28.25 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.243 0.544 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -77.46 -10.87 59.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.263 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.497 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 1.0 OUTLIER -111.35 -2.46 15.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.623 0.249 . . . . 0.0 111.112 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.13 52.92 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.699 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 56.9 m95 -116.25 21.5 13.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.104 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.87 5.11 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -111.2 112.02 23.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.261 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.79 -53.93 43.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.176 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.56 -28.6 66.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.237 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.85 -22.37 66.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.998 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.6 m -76.47 -2.49 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.744 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.29 17.49 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.188 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.5 tt -70.06 141.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 59.4 p -102.17 177.54 4.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.0 -16.6 61.51 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.68 -52.76 10.77 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.454 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -52.06 -46.09 65.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -48.83 -61.72 1.9 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.511 0.196 . . . . 0.0 110.661 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -42.53 -47.28 5.1 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.805 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.16 -31.75 67.55 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.05 4.57 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 111.476 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.44 -8.36 60.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.653 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 t -82.33 75.59 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.218 0.533 . . . . 0.0 110.047 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -96.95 -12.79 22.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.283 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 30.1 t70 -69.55 128.86 91.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.975 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 71' ' ' ASP . 65.0 Cg_exo -52.48 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.323 2.682 . . . . 0.0 113.377 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.1 90.26 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 35.6 m80 -61.66 -41.14 97.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.834 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -64.2 -47.78 78.45 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -57.88 -49.94 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.637 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.49 -48.7 78.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.941 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -45.32 89.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.579 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.14 -36.61 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.74 -37.87 64.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.181 0.515 . . . . 0.0 110.231 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.448 ' HA ' ' HB3' ' B' ' 84' ' ' LEU . 13.7 m -60.79 -34.42 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.123 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 95.5 mt -53.3 -31.05 42.09 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.043 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.41 -49.46 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' B' ' 81' ' ' THR . 14.6 tp . . . . . 0 N--CA 1.465 0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.742 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.756 0.312 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.11 -40.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.412 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 p -57.2 -43.57 82.87 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.333 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.47 -47.42 86.21 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.673 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 7.2 t90 -61.21 -55.53 31.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.526 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 18.2 mt -58.61 -41.78 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.684 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.38 -46.63 88.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.462 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.7 p -62.16 -39.68 93.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.9 pt -85.12 -1.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 121.495 -0.753 . . . . 0.0 110.543 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 71.65 18.59 5.25 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.937 177.805 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 mmt -100.16 26.97 5.96 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -54.76 -33.33 61.16 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -77.44 14.77 0.9 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.37 4.17 10.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.203 0.525 . . . . 0.0 110.056 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -65.86 -35.51 80.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.682 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.13 5.65 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.459 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.22 -41.71 3.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -59.57 -45.12 92.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.611 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.72 ' SD ' HG22 ' A' ' 37' ' ' THR . 20.0 mmt -62.4 -26.6 68.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.953 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.07 46.33 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.0 110.917 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -26.68 61.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.5 14.31 7.6 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.337 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.27 71.16 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.38 0.609 . . . . 0.0 109.952 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.72 HG22 ' SD ' ' A' ' 32' ' ' MET . 22.9 p -99.35 15.11 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.855 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -150.35 153.02 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.69 -45.2 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.98 -38.55 91.59 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.301 -178.549 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG3' ' OE1' ' A' ' 40' ' ' GLU . 3.1 mttp -66.83 -35.83 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.237 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 38' ' ' ALA . 52.0 t -59.99 -39.09 79.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.35 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.59 -36.2 33.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.411 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 1.9 ptp -61.08 178.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.335 0.588 . . . . 0.0 111.513 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.428 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 14.1 t -132.67 175.73 9.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.48 -48.07 72.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.234 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.5 -30.41 71.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.93 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -62.07 -34.65 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.105 0.478 . . . . 0.0 110.044 179.704 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.648 HD11 HD11 ' A' ' 68' ' ' LEU . 92.8 mt -59.27 -30.84 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 123.435 0.694 . . . . 0.0 110.994 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -78.16 -22.91 48.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.768 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -86.06 -34.57 20.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.075 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.28 -12.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.45 -70.16 0.38 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.222 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -37.51 107.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -118.61 25.23 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.03 0.443 . . . . 0.0 111.07 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 30.7 mt -111.81 133.45 21.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.97 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.31 -53.36 6.79 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 124.078 3.186 . . . . 0.0 114.674 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.34 -36.68 93.51 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.979 -1.105 . . . . 0.0 111.846 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 26.7 m80 -69.94 -25.66 63.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.853 0.835 . . . . 0.0 108.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -88.28 -1.34 57.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.636 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.36 -42.32 7.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.299 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.471 HH22 ' HA ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -56.49 -51.79 67.17 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 68.9 mt -62.92 -45.15 99.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.7 91.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.5 -49.4 77.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 15.8 m -64.93 -32.47 74.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD11 HD11 ' A' ' 50' ' ' ILE . 82.4 mt -60.16 -37.63 80.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.294 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.63 -48.16 82.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.15 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.944 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt -60.69 -42.31 96.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.877 0.37 . . . . 0.0 111.228 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.71 -33.38 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.5 -39.38 70.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.823 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -60.44 -41.26 93.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.702 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.86 -11.63 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -17.35 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.467 0.651 . . . . 0.0 109.838 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.59 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.2 ptt? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.769 0.319 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -56.4 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.43 -33.74 45.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -75.06 -45.55 40.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.09 -29.77 70.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' CD ' ' B' ' 39' ' ' GLU . 11.1 tpp180 -58.43 -12.38 3.83 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.712 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.19 68.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.521 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.479 HD13 ' OG1' ' B' ' 81' ' ' THR . 9.2 pt -128.77 15.93 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.267 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.56 93.36 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.646 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.8 17.53 18.0 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.483 -0.422 . . . . 0.0 111.188 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.404 ' CD ' ' HD3' ' B' ' 34' ' ' ARG . 23.7 pm0 -65.43 -16.77 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 110.37 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -67.31 -11.28 57.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.204 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -108.1 -4.7 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -50.42 -58.01 6.7 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -46.83 -45.9 20.48 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.29 -35.15 89.9 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.224 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 82.9 mt -71.43 -52.29 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.688 0.28 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.409 HG22 ' HB3' ' B' ' 51' ' ' ASP . 97.3 t -54.27 -43.73 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.9 -47.93 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.489 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.59 -50.86 70.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.987 0.422 . . . . 0.0 110.402 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.409 ' HA3' ' N ' ' A' ' 60' ' ' HIS . . . 137.87 47.82 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.326 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.489 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 47.4 m95 -127.67 24.14 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.674 0.274 . . . . 0.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASP . . . . . 0.409 ' HB3' HG22 ' B' ' 46' ' ' VAL . 17.9 p-10 -81.28 3.09 25.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.209 0.528 . . . . 0.0 110.228 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 23' ' ' LYS . 1.9 m-20 -90.28 105.18 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.107 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.65 -23.97 62.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.07 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.49 3.79 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.358 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.471 ' HA ' HH22 ' A' ' 63' ' ' ARG . 12.4 tp -71.25 -21.12 62.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.596 0.236 . . . . 0.0 111.21 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -69.56 -24.92 63.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.056 0.455 . . . . 0.0 110.388 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.32 90.74 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.8 tt -154.34 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.641 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -102.09 175.74 5.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.039 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.75 -26.85 66.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' B' ' 64' ' ' LEU . 49.2 mt-10 -78.26 -28.44 47.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.835 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -80.1 21.62 0.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.394 0.616 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.515 HD22 HD13 ' B' ' 78' ' ' LEU . 72.7 mt -116.22 -62.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HG2' ' B' ' 70' ' ' GLN . 0.1 OUTLIER -47.83 -28.96 2.85 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.79 177.06 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -62.33 -23.09 66.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.956 0.408 . . . . 0.0 111.132 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.62 8.9 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.246 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 -5.85 49.68 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -81.77 68.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.25 0.547 . . . . 0.0 110.19 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.566 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 93.8 mt-30 -98.2 27.48 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.223 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -116.41 131.86 23.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.3 -40.73 65.67 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.065 2.51 . . . . 0.0 113.344 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.57 81.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -64.32 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.62 -54.49 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -52.09 -42.67 63.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.643 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -43.3 96.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.515 HD13 HD22 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -59.99 -52.27 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.83 -47.42 77.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.69 -43.16 89.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.813 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.479 ' OG1' HD13 ' B' ' 36' ' ' ILE . 21.0 m -69.11 -33.15 73.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.439 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 89.9 mt -60.06 -49.82 76.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.358 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.61 -33.54 75.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.398 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 tp . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.508 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 t -56.21 -36.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.434 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -62.0 -35.57 78.93 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 111.687 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.439 ' CZ2' ' HB3' ' A' ' 67' ' ' SER . 52.4 t90 -66.12 -37.25 85.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 13.5 mt -88.07 -27.38 22.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -65.32 -46.49 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.339 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -55.63 -48.38 75.02 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 pt -79.85 2.45 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.499 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 67.19 38.52 3.35 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.843 0.715 . . . . 0.0 112.524 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.2 mmt -118.33 30.21 7.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.737 0.779 . . . . 0.0 109.165 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -57.38 -23.19 47.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.449 -1.25 . . . . 0.0 113.979 -178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -81.66 -7.51 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.721 0.691 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.508 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 73.4 m-85 -97.32 -8.62 29.24 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -56.37 -37.59 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.11 -50.74 70.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -55.89 -39.76 72.02 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.418 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 14.9 m-85 -61.5 -48.51 80.77 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.52 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.411 ' HG2' HG23 ' A' ' 37' ' ' THR . 56.3 mtt -73.0 -7.21 50.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.106 -177.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 -15.84 21.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 0.0 110.05 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.61 -4.04 45.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.21 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.39 -7.58 47.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.745 -0.741 . . . . 0.0 113.051 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -86.97 68.61 10.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -102.78 7.73 39.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.14 -179.356 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -138.86 141.11 38.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.341 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.98 -45.29 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' OE2' ' HB1' ' A' ' 38' ' ' ALA . 1.3 mp0 -58.96 -33.62 70.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.77 0.319 . . . . 0.0 111.346 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.52 -33.72 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.105 0.478 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -64.86 -43.32 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.296 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 71' ' ' LEU . 20.4 m -74.27 -14.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -81.79 -25.02 35.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.365 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.5 ptp -66.44 -178.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -131.82 176.66 8.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.86 -41.27 77.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.168 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.09 -32.67 73.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.425 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 46' ' ' THR . 2.9 m-20 -58.87 -36.13 74.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.109 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 68' ' ' LEU . 96.2 mt -57.0 -39.56 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.262 0.553 . . . . 0.0 111.004 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 7.3 mtpp -77.59 -38.45 48.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.383 0.611 . . . . 0.0 109.433 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -45.97 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.035 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 pt -71.8 6.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.47 -81.37 0.33 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.26 -0.971 . . . . 0.0 112.98 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.433 HG22 ' CD1' ' A' ' 27' ' ' TYR . 2.2 t -23.9 96.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.89 1.276 . . . . 0.0 114.236 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.08 -10.19 24.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.541 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' B' ' 47' ' ' HIS . 41.3 mt -78.66 122.01 84.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.87 -42.77 60.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.954 2.436 . . . . 0.0 112.798 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -66.77 -39.64 93.62 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.769 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -69.02 -28.91 67.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.651 ' HG2' HG22 ' A' ' 50' ' ' ILE . 35.3 mt-30 -68.2 -63.16 1.11 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.457 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -39.73 -46.58 1.92 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.148 0.905 . . . . 0.0 111.65 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -54.37 -54.19 43.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.51 -45.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.732 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.92 81.51 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.87 -46.54 87.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.115 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -65.15 -36.72 85.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.071 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD12 HD11 ' A' ' 50' ' ' ILE . 9.2 mt -60.89 -42.21 97.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.28 -40.65 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.506 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.27 -47.21 92.19 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.698 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' A' ' 43' ' ' VAL . 15.9 mt -59.67 -44.05 93.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.238 . . . . 0.0 111.309 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.44 ' O ' HG12 ' A' ' 75' ' ' VAL . 67.0 mttm -61.04 -45.23 95.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.49 -45.78 82.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.036 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -59.96 -41.82 92.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 72' ' ' LYS . 5.4 p -71.55 -18.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 111.195 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -91.68 -6.0 52.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.16 0.505 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.707 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -54.58 45.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.153 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.48 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -69.5 -47.41 63.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.098 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.7 mt -71.07 -28.4 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.83 -15.13 7.38 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.261 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -31.65 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.3 pt -127.36 21.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.053 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.49 50.45 35.82 Favored Glycine 0 CA--C 1.52 0.387 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.364 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -120.36 12.56 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.906 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -53.51 -22.71 8.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -62.43 -19.7 63.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -50.28 -36.42 31.44 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.4 -49.77 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.321 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.91 -19.62 61.0 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.828 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.15 17.49 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.13 -26.12 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.245 0.545 . . . . 0.0 110.151 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 17.0 m-70 -69.28 -19.37 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.594 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.0 OUTLIER -110.06 1.71 19.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.477 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.21 42.81 95.53 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 13.9 m95 -88.2 18.72 4.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.508 . . . . 0.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.496 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.7 98.8 7.12 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.85 -21.88 61.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.785 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.74 -61.63 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.796 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -69.69 -24.87 63.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.42 -24.61 67.69 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.099 0.476 . . . . 0.0 110.183 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 m -72.8 -16.92 61.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.465 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -110.45 21.21 16.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 tt -78.46 155.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 19.2 p -104.78 172.26 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 0.0 110.424 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -82.95 13.46 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.032 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.417 ' HA ' ' OE2' ' B' ' 65' ' ' GLU . 35.9 mt-10 -126.08 34.7 4.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.527 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -132.92 -40.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.32 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.511 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 66.5 mt -52.99 -46.68 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.12 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.417 ' OE2' ' HA ' ' B' ' 62' ' ' GLU . 2.5 pm0 -40.58 -41.43 1.47 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.0 tt0 -60.01 -30.75 69.36 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.37 -3.37 58.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.6 -10.34 23.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.276 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.1 t -82.86 71.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -100.44 12.15 37.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 0.0 110.181 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 16.5 t70 -91.81 135.08 27.93 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.782 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.07 -55.17 3.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.054 2.502 . . . . 0.0 113.161 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.26 90.45 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' HIS . . . . . 0.453 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 49.8 m170 -58.32 -43.99 88.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.314 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -66.02 -42.83 89.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.406 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.86 -50.76 70.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.503 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.22 -45.04 80.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.654 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.36 -42.18 98.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.777 0.323 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.64 -37.12 82.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -72.78 -36.32 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.248 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.9 m -64.3 -31.97 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.857 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.14 -30.09 67.89 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.175 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -87.26 -59.29 2.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.955 179.423 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.577 0.227 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.28 -40.08 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.692 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -47.01 81.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.785 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.93 -36.78 85.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.007 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -67.58 -44.95 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.215 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.01 -22.47 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.512 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.55 -36.12 33.46 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -54.22 -32.35 55.62 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 pt -105.89 -0.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' B' ' 52' ' ' ASP . 55.1 mmtt 64.07 44.82 4.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 112.382 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.5 mmt -121.08 23.96 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -58.39 -23.18 56.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.971 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -82.93 -0.3 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.262 -0.899 . . . . 0.0 111.462 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 66.7 m-85 -97.58 2.74 50.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.306 . . . . 0.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 m -63.52 -30.91 71.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.354 0.597 . . . . 0.0 110.373 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -68.05 4.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.09 -43.65 2.53 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 30.4 m-85 -55.49 -46.82 76.86 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.56 0.695 . . . . 0.0 110.134 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.493 ' SD ' HG22 ' A' ' 37' ' ' THR . 22.9 mmt -64.34 -39.94 94.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.329 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.68 -25.15 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.723 0.297 . . . . 0.0 111.747 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -9.57 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.55 -4.05 30.97 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.255 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -89.01 75.76 7.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.413 0.625 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.493 HG22 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -99.14 3.91 46.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.831 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.08 161.24 42.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.01 -44.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.57 -40.36 87.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.903 0.32 . . . . 0.0 111.417 -178.37 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -69.39 -38.74 78.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.797 0.332 . . . . 0.0 110.19 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 38' ' ' ALA . 75.5 t -61.28 -35.57 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.22 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.47 -12.3 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.953 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -82.49 -29.22 30.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.899 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.9 ptp -58.92 167.2 1.68 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.177 0.513 . . . . 0.0 111.644 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 9.4 t -119.33 175.12 5.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.244 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.6 -44.22 85.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.67 -22.84 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.632 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 46' ' ' THR . 0.2 OUTLIER -60.91 -34.86 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.744 HD11 HD12 ' A' ' 68' ' ' LEU . 93.0 mt -56.23 -35.26 41.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.833 0.825 . . . . 0.0 111.001 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 3.1 mtpp -83.61 -38.66 21.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.518 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -62.56 -36.03 81.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.25 -0.08 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.24 -81.31 0.26 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.64 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 21.3 t -28.51 97.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.71 -4.04 34.49 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.858 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' B' ' 47' ' ' HIS . 80.1 mt -83.29 119.88 74.77 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 11.5 Cg_endo -53.28 -48.17 23.48 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.599 2.866 . . . . 0.0 114.11 -177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.586 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -65.42 -37.48 93.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.399 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.518 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 4.2 m-70 -65.94 -27.46 68.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 109.111 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 31.3 mt-30 -69.27 -64.02 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.11 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -37.93 -44.43 0.78 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.73 -46.03 90.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.979 0.419 . . . . 0.0 110.917 -178.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.2 mt -70.58 -50.49 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.11 78.41 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.78 -45.67 85.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.197 0.523 . . . . 0.0 110.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -65.7 -28.64 69.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.143 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 50' ' ' ILE . 14.0 mt -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.424 -0.172 . . . . 0.0 110.581 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.1 mt -53.95 -38.71 65.23 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.428 0.455 . . . . 0.0 110.581 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.55 -45.47 94.63 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.505 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.73 -45.32 93.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 0.0 111.046 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -58.74 -42.84 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.214 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.24 -41.1 61.85 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.865 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -65.12 -38.11 89.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.807 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.2 -16.13 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.802 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -99.62 1.36 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.98 -54.11 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.081 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.81 64.67 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.062 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -71.16 -53.39 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.329 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.413 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 15.1 mt -57.6 -29.31 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.406 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.93 -24.76 25.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.395 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.25 57.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.677 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -120.41 23.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.03 34.0 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.056 -0.975 . . . . 0.0 113.644 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.88 14.14 24.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.02 0.438 . . . . 0.0 110.794 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.413 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -50.36 -31.03 13.6 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.554 179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -66.49 -8.09 24.02 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.456 ' CE1' HG22 ' B' ' 69' ' ' VAL . 0.6 OUTLIER -89.77 -22.13 22.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.779 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.509 ' O ' HG23 ' B' ' 46' ' ' VAL . 32.1 tt0 -55.99 -24.94 41.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.195 0.522 . . . . 0.0 110.983 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.54 -49.9 73.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.051 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.81 -5.13 81.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.062 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 30.4 mt -95.1 16.72 15.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.557 -0.379 . . . . 0.0 111.369 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 42' ' ' GLU . 54.3 t -96.18 -41.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.107 -0.371 . . . . 0.0 111.661 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 57' ' ' LEU . 9.6 m-70 -69.62 0.47 5.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.586 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 5.3 m-20 -112.2 1.93 16.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 88.75 22.59 38.86 Favored Glycine 0 C--N 1.319 -0.405 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.824 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.509 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 43.8 m95 -85.6 40.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.737 0.78 . . . . 0.0 109.319 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.21 -29.38 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.338 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 41.9 t0 -114.77 127.25 55.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.87 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.1 -20.99 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.532 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.56 -41.26 94.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 0.0 110.094 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -77.67 -28.04 51.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -15.83 61.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.594 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -79.35 -8.4 59.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.052 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.83 18.11 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.882 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.8 tt -75.57 150.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.317 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.5 p -112.73 173.91 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.06 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -67.44 -26.08 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.65 -55.77 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.047 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -52.91 -42.07 65.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.477 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.428 HD21 HD22 ' B' ' 78' ' ' LEU . 21.9 mt -54.46 -60.26 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.36 -37.29 2.21 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 45.8 mt-10 -59.34 -34.7 72.68 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.4 -0.68 42.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 0.0 111.53 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.64 4.38 37.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.299 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.456 HG22 ' CE1' ' B' ' 41' ' ' TYR . 2.7 t -85.81 63.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.0 110.073 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -98.79 49.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.356 0.598 . . . . 0.0 110.533 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 7.5 t70 -136.28 131.8 18.75 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.486 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.25 -53.68 5.48 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.964 2.443 . . . . 0.0 113.202 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.85 92.9 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 56.2 m170 -57.96 -45.92 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.338 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -56.5 -51.69 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.43 -43.87 79.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 2.0 tt -61.75 -45.9 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.03 -40.87 86.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.71 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.31 -38.82 88.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.425 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -65.28 -35.19 80.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 95.1 mt -55.99 -45.9 78.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.41 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -67.48 -44.72 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.491 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.684 0.278 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.22 -37.58 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.778 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -44.25 93.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 23.3 mt-10 -59.64 -32.32 70.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.301 0.572 . . . . 0.0 111.331 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -77.17 -29.31 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.878 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.8 -24.42 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.48 -41.86 45.69 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.631 -179.385 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -32.35 65.38 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.599 HG21 ' OG ' ' A' ' 67' ' ' SER . 11.9 pt -99.16 1.23 10.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.62 49.19 5.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.691 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mmt -131.84 42.67 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.48 -24.95 67.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -73.01 -0.91 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.532 -0.73 . . . . 0.0 112.452 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.42 -2.85 51.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.705 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.48 -40.21 96.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.466 0.651 . . . . 0.0 109.486 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -87.72 44.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.939 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -154.25 -54.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.111 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.37 -40.07 89.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.464 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.1 mtt -76.41 -15.41 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.287 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.76 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.334 0.588 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.83 0.72 54.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.89 -8.16 53.83 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.941 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -89.13 74.6 8.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.409 0.623 . . . . 0.0 109.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.02 5.75 50.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.008 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -150.16 155.43 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.565 0.221 . . . . 0.0 110.722 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.36 -42.25 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -61.74 -28.66 69.59 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.204 -178.737 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 38' ' ' ALA . 11.4 mttp -84.36 -31.63 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.429 . . . . 0.0 110.014 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.5 t -62.48 -37.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -75.31 -7.66 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.649 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 77.7 mt-30 -85.97 -25.21 26.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.302 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.1 ptp -70.62 179.99 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.061 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -140.84 178.86 7.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -52.39 -43.31 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.3 -42.66 91.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.804 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 3.5 m-20 -53.11 -47.2 68.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.942 0.401 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.866 HD11 ' CD1' ' A' ' 68' ' ' LEU . 96.1 mt -54.01 -42.23 53.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 C-N-CA 123.907 0.883 . . . . 0.0 111.014 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -79.73 -18.89 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -84.91 -40.16 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.727 0.299 . . . . 0.0 110.721 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 49' ' ' ASP . 17.9 pt -80.8 16.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 111.499 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.83 -125.25 6.24 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.829 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t 39.19 61.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.385 0.697 . . . . 0.0 111.998 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -22.32 63.03 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 57' ' ' LEU . 17.3 mt -75.88 125.95 87.61 Favored Pre-proline 0 N--CA 1.464 0.257 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.54 -42.79 51.15 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.137 2.558 . . . . 0.0 113.174 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.536 ' HA3' ' CB ' ' B' ' 48' ' ' ASN . . . -68.38 -29.16 73.01 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.757 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -69.16 -34.89 75.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -67.97 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.534 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -40.03 -44.14 1.69 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.209 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' A' ' 22' ' ' ILE . 39.4 ttm180 -59.74 -49.54 77.32 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.307 0.575 . . . . 0.0 110.125 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.09 -43.63 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.454 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.23 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.93 -45.25 78.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 122.175 0.988 . . . . 0.0 109.046 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.599 ' OG ' HG21 ' A' ' 22' ' ' ILE . 9.4 m -71.43 -17.52 62.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.482 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.866 ' CD1' HD11 ' A' ' 50' ' ' ILE . 24.8 mt -83.3 -37.05 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.69 -44.02 85.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.49 -44.23 98.27 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.0 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.85 -42.42 93.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.706 0.289 . . . . 0.0 110.686 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 75' ' ' VAL . 77.7 mttt -63.87 -47.19 81.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.277 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.6 -39.76 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.741 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.6 p -91.42 -11.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.439 . . . . 0.0 110.646 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -91.95 -24.02 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.976 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -55.16 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.66 40.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.065 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TRP . . . . . 0.474 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 41.2 t90 -78.14 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.988 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.474 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 15.5 mt -57.15 -28.83 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.554 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 3.3 ttp-105 -53.66 -15.89 1.39 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 177.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -35.91 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 109.821 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 pt -124.01 25.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.31 45.77 44.44 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.85 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -121.21 17.15 11.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.993 0.397 . . . . 0.0 111.797 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.554 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 4.8 pm0 -63.84 -18.57 64.28 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.818 0.342 . . . . 0.0 111.512 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 40' ' ' ARG . 26.6 mtm180 -71.05 -1.56 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -112.63 -11.56 13.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -48.17 -58.99 3.76 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -45.16 -39.9 6.58 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.455 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.14 92.9 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -72.89 -41.45 64.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.463 0.173 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.73 -33.39 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -63.35 -14.88 54.76 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 111.575 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' HA3' ' A' ' 59' ' ' GLY . 95.9 m-20 -113.97 11.96 17.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 10.79 80.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.253 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.56 48.57 1.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.41 0.624 . . . . 0.0 109.678 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -105.77 -12.22 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.575 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -88.65 112.66 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.64 -30.04 66.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -73.08 -52.48 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.707 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -19.61 62.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.799 0.333 . . . . 0.0 110.185 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.69 -17.66 61.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -73.1 -13.02 61.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -106.74 20.35 19.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.67 0.748 . . . . 0.0 109.668 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.7 tt -78.28 147.9 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.934 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.1 p -107.24 165.68 11.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.864 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' B' ' 75' ' ' LYS . 5.7 tt0 -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' B' ' 65' ' ' GLU . 26.5 mt-10 -75.68 -41.14 54.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.067 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.02 -47.92 67.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.88 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.464 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 91.0 mt -52.79 -54.21 37.42 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 110.044 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.476 ' HG3' ' HG2' ' B' ' 70' ' ' GLN . 2.1 tt0 -45.07 -46.78 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.355 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.84 -14.7 63.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.954 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.67 1.74 53.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 110.525 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.16 -15.0 36.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.408 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 8.5 t -85.85 74.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.23 0.538 . . . . 0.0 110.122 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.476 ' HG2' ' HG3' ' B' ' 65' ' ' GLU . 46.0 mt-30 -90.86 -16.28 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.12 129.12 93.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.711 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.38 -47.2 17.72 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.183 2.588 . . . . 0.0 113.539 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.8 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.213 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -59.03 -46.26 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' B' ' 61' ' ' GLU . 49.7 mtmt -61.34 -49.18 78.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.0 0.429 . . . . 0.0 109.976 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -55.44 -46.83 76.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.9 -45.8 93.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.466 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.452 HD13 HD22 ' B' ' 64' ' ' LEU . 0.5 OUTLIER -59.85 -46.65 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.748 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mp -57.43 -37.22 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.915 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 -36.96 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 110.45 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -35.67 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.245 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.17 -40.9 91.58 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -67.57 -45.48 75.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.215 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 CA--C 1.531 0.236 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.357 179.404 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.952 0.406 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 15' ' ' VAL . 2.2 t -48.92 -35.15 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.926 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.68 83.76 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.603 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.47 -38.8 88.6 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.3 0.375 . . . . 0.0 111.227 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.644 ' O ' HG12 ' A' ' 22' ' ' ILE . 15.4 t90 -67.64 -54.3 20.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 0.0 109.943 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 28' ' ' THR . 13.1 mt -58.65 -32.56 69.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.269 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -33.43 24.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -67.21 -33.33 75.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 18' ' ' TRP . 25.9 pt -89.46 8.91 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.272 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 29.13 14.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.179 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.5 mmt -103.09 21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -33.25 -58.4 0.39 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.241 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -59.12 -12.39 4.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CE1' HG22 ' A' ' 55' ' ' VAL . 11.3 m-85 -82.83 -33.17 27.22 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.395 -0.816 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.513 ' HA ' HD13 ' A' ' 19' ' ' LEU . 2.2 m -40.86 -38.79 1.0 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.32 0.581 . . . . 0.0 112.357 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.82 -52.64 64.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.018 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -72.27 -36.29 68.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.269 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.37 -62.72 1.52 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.773 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.7 mtt -57.06 -33.86 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.792 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.8 66.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.83 15.15 7.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.004 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.3 -12.46 62.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.837 -0.697 . . . . 0.0 114.416 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -88.48 60.0 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.784 0.792 . . . . 0.0 110.55 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -25.33 36.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.228 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -118.8 144.86 46.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -43.44 -50.96 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.025 -0.988 . . . . 0.0 113.633 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -51.68 -32.12 28.5 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.14 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -87.74 -32.01 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.496 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 38' ' ' ALA . 97.3 t -64.85 -36.58 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.6 -9.53 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.326 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 74.7 mt-30 -81.53 -58.17 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.5 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.524 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -46.56 116.1 1.21 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -70.42 -152.57 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.956 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -77.16 -38.01 52.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.76 -55.84 22.73 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 4.0 m-20 -50.72 -43.36 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.674 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.047 HD11 HD12 ' A' ' 68' ' ' LEU . 95.6 mt -51.66 -51.38 27.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 121.809 0.814 . . . . 0.0 110.996 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -68.6 -31.77 71.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.876 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.81 -54.33 9.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.0 pt -43.98 -27.61 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.35 39.38 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 119.919 -1.134 . . . . 0.0 113.401 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.586 HG22 ' CE1' ' A' ' 27' ' ' TYR . 67.4 t -120.26 102.5 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -106.48 -12.96 15.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.695 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' B' ' 47' ' ' HIS . 50.5 mt -78.29 125.95 84.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.07 -40.24 72.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.439 2.092 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' B' ' 48' ' ' ASN . . . -62.35 -42.89 99.69 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.797 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.534 ' CE1' HD12 ' A' ' 57' ' ' LEU . 52.2 m170 -71.34 -19.4 62.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.902 0.851 . . . . 0.0 109.564 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.489 ' HG3' HG12 ' A' ' 55' ' ' VAL . 24.7 mt-30 -75.81 -5.06 44.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.186 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -112.13 -41.14 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.203 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -56.58 -40.35 75.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.437 178.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -80.74 -49.01 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.3 -51.51 69.07 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -54.99 -54.18 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.172 0.51 . . . . 0.0 110.511 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.52 ' CB ' ' HE1' ' A' ' 18' ' ' TRP . 11.9 m -61.38 -37.91 85.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.326 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.047 HD12 HD11 ' A' ' 50' ' ' ILE . 11.7 mt -59.65 -41.03 89.63 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.435 0.159 . . . . 0.0 110.694 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 76.2 mt -56.29 -42.19 77.14 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.75 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.26 -47.41 85.15 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.391 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.59 -43.85 93.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -61.66 -36.45 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.1 -36.92 39.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.713 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -58.97 -44.22 91.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.248 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.2 p -71.88 -17.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.726 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.83 -19.16 29.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -81.82 83.0 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.435 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 78' ' ' VAL . 3.1 m . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.423 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.0 38.33 1.86 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 111.851 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -66.99 -59.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.266 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.24 -23.24 61.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.146 0.498 . . . . 0.0 110.431 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.748 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.45 -21.65 64.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.132 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.09 -47.24 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.665 0.269 . . . . 0.0 111.211 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.6 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.611 HD13 ' OG1' ' B' ' 81' ' ' THR . 11.7 pt -95.63 -12.81 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 37.37 8.51 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' B' ' 41' ' ' TYR . 3.4 mp -123.06 4.9 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' B' ' 40' ' ' ARG . 10.3 pm0 -43.89 -38.95 3.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.673 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' B' ' 39' ' ' GLU . 46.7 mtm180 -65.62 -7.7 16.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.416 ' CD2' ' HG ' ' B' ' 38' ' ' LEU . 92.2 m-85 -96.5 -35.45 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 118.706 -0.664 . . . . 0.0 111.625 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -12.53 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.543 1.152 . . . . 0.0 113.436 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -31.16 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.01 -35.66 64.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.375 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 mp -91.23 16.1 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 74.2 t -101.69 -36.92 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.777 ' HA ' HD13 ' A' ' 57' ' ' LEU . 19.0 m170 -72.05 -1.64 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.213 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.408 ' CG ' ' HA3' ' A' ' 59' ' ' GLY . 2.0 m120 -116.15 -7.38 11.86 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.77 10.42 57.76 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.675 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.598 ' HB3' HD13 ' B' ' 56' ' ' LEU . 67.0 m95 -98.35 22.91 9.04 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.218 -0.578 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.52 ' HB3' ' HA ' ' B' ' 46' ' ' VAL . 9.7 p-10 -85.32 26.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.401 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -142.97 129.47 20.13 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.204 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.0 20.48 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' B' ' 52' ' ' ASP . 23.6 mm-40 -90.18 -40.36 12.25 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.335 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.7 -12.96 7.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.458 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' B' ' 50' ' ' TRP . 27.5 tp -68.82 -23.66 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.401 0.62 . . . . 0.0 109.846 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.61 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -128.85 29.72 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 109.936 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 tt -71.07 151.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.592 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -105.37 168.35 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.102 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.29 -45.66 46.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.291 0.567 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.89 16.46 0.53 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.62 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -103.26 -55.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -46.23 -32.8 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.11 -28.67 70.23 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.26 4.91 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.263 0.554 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.0 -13.01 57.59 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' B' ' 74' ' ' HIS . 2.6 t -82.33 64.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.137 0.494 . . . . 0.0 109.878 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -90.24 -28.2 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.181 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.86 136.94 87.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.964 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.7 -46.36 30.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.663 2.908 . . . . 0.0 113.713 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.89 96.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 111.228 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.438 ' HB3' HG13 ' B' ' 69' ' ' VAL . 49.1 m80 -66.43 -43.69 84.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.133 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -62.63 -46.59 87.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.049 0.452 . . . . 0.0 109.928 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -61.73 -35.53 78.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.859 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -46.74 80.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.97 -37.19 86.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.93 -30.58 71.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 110.061 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.98 -39.33 79.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.727 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.611 ' OG1' HD13 ' B' ' 36' ' ' ILE . 1.3 m -64.83 -26.83 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.693 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' B' ' 86' ' ' LYS . 91.5 mt -63.45 -26.91 68.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -107.07 -25.1 11.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.14 -56.47 5.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.994 0.426 . . . . 0.0 110.315 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.3 m -92.43 -43.79 9.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.915 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' B' ' 82' ' ' LEU . 15.5 tttm . . . . . 0 C--O 1.251 1.132 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.228 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.799 0.333 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 37' ' ' THR . 91.7 t -62.86 -35.52 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.238 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 28.8 mt-10 -63.59 -33.77 76.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.638 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -71.72 -43.86 65.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.39 -32.19 69.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.03 -30.32 66.49 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.011 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -55.95 -42.23 75.88 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.189 0.306 . . . . 0.0 111.187 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -2.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 24.5 mmtp 64.08 26.95 14.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.803 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mmt -108.95 32.61 4.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -62.45 -21.46 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.392 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -78.06 15.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.696 -0.627 . . . . 0.0 111.689 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -119.18 3.14 11.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.603 0.24 . . . . 0.0 110.885 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 32' ' ' MET . 5.4 m -62.18 -31.09 71.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.23 0.538 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.61 -45.39 89.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.397 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -71.04 -38.41 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.19 -48.15 76.94 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.344 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.457 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 36.1 mmt -64.55 -34.72 78.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.4 71.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.283 . . . . 0.0 111.47 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -9.17 49.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.406 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.58 2.79 58.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.59 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -95.86 69.99 2.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.637 0.732 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.584 ' O ' HG21 ' A' ' 15' ' ' VAL . 2.1 p -77.74 -68.65 0.6 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.862 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' H ' ' HD3' ' A' ' 41' ' ' LYS . . . -85.75 169.21 13.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 112.169 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.3 mm -50.7 -48.28 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.312 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.9 mp0 -53.7 -39.48 65.23 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.802 0.334 . . . . 0.0 111.808 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HD3' ' H ' ' A' ' 38' ' ' ALA . 2.9 mptp? -74.34 -33.89 63.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.4 . . . . 0.0 110.664 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 45' ' ' MET . 99.4 t -68.53 -41.49 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 71' ' ' LEU . 22.5 m -77.03 -7.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.32 -22.03 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.695 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 13.7 ptp -65.87 179.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.355 0.598 . . . . 0.0 111.405 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -136.25 178.03 7.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.611 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -56.53 -44.17 80.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.564 0.221 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.08 -37.94 75.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 53' ' ' ILE . 4.3 m-20 -60.33 -41.71 94.11 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.695 ' CD1' ' SD ' ' A' ' 45' ' ' MET . 47.8 mm -60.74 -25.99 36.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.295 0.569 . . . . 0.0 110.993 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -91.02 -15.41 29.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -99.14 -23.42 15.25 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.523 0.202 . . . . 0.0 111.449 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 49' ' ' ASP . 36.8 pt -72.32 9.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.815 0.341 . . . . 0.0 111.918 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.74 0.41 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.702 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 60' ' ' HIS . 38.6 t -39.03 108.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -108.63 -8.06 15.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.109 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.549 HD13 ' O ' ' B' ' 47' ' ' HIS . 25.4 mt -79.36 128.25 76.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.11 -47.93 18.18 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 113.243 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.78 -39.62 98.19 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.713 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.424 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -66.36 -32.3 73.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.493 0.664 . . . . 0.0 109.373 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.602 ' HG2' HG22 ' A' ' 50' ' ' ILE . 34.2 mt-30 -72.0 -58.43 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.061 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -38.8 -47.53 1.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.398 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -55.37 35.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.272 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG21 HD12 ' A' ' 50' ' ' ILE . 72.7 mt -56.6 -44.35 80.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.609 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.71 -51.04 71.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -67.53 -26.94 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.786 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 50' ' ' ILE . 11.5 mt -65.77 -34.05 77.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.2 -41.39 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.66 -41.61 97.66 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.859 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.538 ' HB3' HG12 ' A' ' 43' ' ' VAL . 6.8 mt -60.31 -43.78 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.696 0.284 . . . . 0.0 111.451 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' O ' HG12 ' A' ' 75' ' ' VAL . 85.4 mttt -68.25 -40.8 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.432 . . . . 0.0 110.112 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -58.75 -45.21 90.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.623 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.2 p -71.27 -10.38 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -100.49 -6.93 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.956 0.407 . . . . 0.0 110.337 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 m -91.16 126.29 36.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.83 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.779 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -145.29 26.85 1.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.766 0.317 . . . . 0.0 110.708 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -53.28 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 -36.22 61.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.738 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.53 -51.03 60.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.517 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -83.56 31.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.612 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -111.28 2.29 17.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.51 -15.59 28.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.104 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.31 15.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.86 52.96 24.01 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.287 -0.869 . . . . 0.0 113.368 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.88 16.26 10.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.051 0.425 . . . . 0.0 111.115 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -57.44 -20.21 28.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.725 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.12 -14.03 62.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.982 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -98.21 -17.87 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -41.56 -65.73 0.41 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -42.56 -39.27 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.41 -39.42 87.36 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.13 -55.92 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 64.0 t -46.1 -49.23 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.549 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.09 -47.12 68.79 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 120.615 0.245 . . . . 0.0 111.309 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.465 ' OD1' ' HA ' ' B' ' 67' ' ' ALA . 7.0 m120 -62.0 -80.73 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.93 46.33 0.21 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.896 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -135.47 63.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.03 0.443 . . . . 0.0 110.343 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.91 -4.9 39.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.205 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -128.89 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.436 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.31 -18.71 29.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.93 -20.95 60.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -101.24 -15.7 17.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.15 -20.03 66.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -10.66 60.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.72 22.14 16.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.152 0.501 . . . . 0.0 110.195 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 tt -79.61 152.23 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.416 ' H ' ' HB2' ' B' ' 63' ' ' ASP . 79.7 p -121.97 172.8 7.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.95 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.68 -32.47 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.33 -47.76 69.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.59 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.416 ' HB2' ' H ' ' B' ' 60' ' ' THR . 6.3 m-20 -53.29 -49.0 67.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 15.7 mt -54.29 -54.39 40.91 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.03 -48.62 11.66 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.385 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.12 -25.21 66.88 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.465 ' HA ' ' OD1' ' B' ' 48' ' ' ASN . . . -84.42 -6.93 59.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.72 -15.7 21.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.578 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.9 t -86.47 81.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.135 0.493 . . . . 0.0 110.009 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.44 -16.85 20.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.7 126.89 93.19 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.06 -49.87 15.6 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.31 2.673 . . . . 0.0 113.261 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.38 77.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.474 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -60.88 -41.88 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -62.95 -54.41 38.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.051 0.453 . . . . 0.0 110.035 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -55.28 -45.33 76.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.881 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.82 -48.89 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.5 -44.19 96.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.647 0.26 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.04 -44.71 79.08 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.06 -42.67 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.455 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.95 -31.05 71.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.017 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.49 -45.58 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.82 -47.68 68.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.081 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.1 -47.64 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.782 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -79.18 -35.38 41.98 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.415 -179.663 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.25 -38.76 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.814 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.48 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.601 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 54.1 mt-10 -61.67 -32.16 72.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.468 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -74.09 -37.89 64.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -80.05 -31.86 39.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.083 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 12.6 pt-20 -75.34 -37.23 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.01 -0.431 . . . . 0.0 111.878 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -56.45 -37.95 70.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 67' ' ' SER . 12.4 pt -92.66 -0.36 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp 66.56 44.99 2.16 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.353 0.597 . . . . 0.0 112.133 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mmt -127.71 26.81 5.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -63.77 -17.91 63.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.662 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -85.16 -3.95 58.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 118.997 0.817 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.91 -4.68 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.101 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -54.24 -43.3 70.77 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.713 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -55.52 -44.54 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.533 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -44.57 81.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 110.408 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -56.49 -51.06 69.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.665 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.9 mtt -66.46 -31.18 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.127 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.09 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.092 0.473 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.4 -15.48 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.876 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.8 -5.7 14.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.304 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -89.97 71.75 7.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.085 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.13 0.92 56.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.023 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.451 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -151.12 157.89 43.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.07 -41.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 mp0 -57.45 -34.34 68.89 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.768 0.318 . . . . 0.0 111.096 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -80.3 -35.32 35.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.918 0.39 . . . . 0.0 110.047 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.3 t -60.61 -41.03 86.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.76 -9.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -84.35 -24.2 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.077 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 13.7 ptp -63.77 176.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.14 0.495 . . . . 0.0 111.299 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -129.15 169.16 15.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.74 -47.59 79.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.805 0.336 . . . . 0.0 111.515 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.83 -30.79 71.76 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.83 -29.24 68.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.634 0.254 . . . . 0.0 111.422 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.023 HD11 ' CD1' ' A' ' 68' ' ' LEU . 92.6 mt -61.75 -28.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.828 0.823 . . . . 0.0 110.966 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -89.88 -7.87 53.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.283 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -91.97 -38.33 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -73.92 23.1 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.82 -88.92 0.44 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.378 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -11.52 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.67 1.588 . . . . 0.0 114.798 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -92.29 -17.04 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.677 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 57' ' ' LEU . 21.1 mt -76.95 123.7 87.41 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.347 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.32 -41.39 73.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.395 2.73 . . . . 0.0 113.549 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.69 -33.04 70.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.894 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -67.4 -32.93 74.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.59 -62.42 1.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.563 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.75 -50.89 0.86 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.198 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.409 HH22 ' C ' ' B' ' 49' ' ' GLY . 37.0 ttm180 -58.76 -52.72 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.099 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.8 mt -57.7 -44.43 85.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.233 0.333 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.48 87.79 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.319 0.581 . . . . 0.0 110.616 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.92 -44.7 96.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.739 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 22' ' ' ILE . 3.7 m -67.18 -27.98 67.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.651 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.023 ' CD1' HD11 ' A' ' 50' ' ' ILE . 16.0 mt -69.72 -40.08 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.126 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.89 -36.79 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.37 86.46 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.914 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.32 -42.05 94.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.563 0.221 . . . . 0.0 111.478 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -64.9 -39.88 94.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.51 -41.66 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.26 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -65.71 -29.89 70.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.582 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.91 -12.21 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.678 . . . . 0.0 109.757 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -92.28 -8.96 43.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.955 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.5 m -76.6 114.72 15.65 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.093 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.763 -179.823 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -142.01 29.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.977 0.388 . . . . 0.0 111.317 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' B' ' 34' ' ' ARG . 0.7 OUTLIER -59.3 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.21 -27.83 69.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.208 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -73.0 -41.37 64.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.752 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' B' ' 42' ' ' GLU . 38.0 mt -74.7 -21.92 59.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.643 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.519 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -57.96 -19.97 34.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -38.94 75.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 pt -119.54 21.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.81 45.94 31.53 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.513 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.37 16.61 13.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.83 0.315 . . . . 0.0 111.254 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.519 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 6.8 pm0 -51.1 -28.02 9.64 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 -61.84 -19.15 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.724 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.87 -24.09 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.473 ' O ' HG23 ' B' ' 46' ' ' VAL . 53.5 tt0 -51.26 -35.16 35.94 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.88 0.371 . . . . 0.0 111.262 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.24 -50.53 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.375 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -28.15 65.06 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.684 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.21 -53.55 29.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.773 0.286 . . . . 0.0 110.45 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 42' ' ' GLU . 84.3 t -46.0 -38.3 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -17.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 111.48 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.514 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 4.9 m-20 -110.82 9.58 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.409 ' C ' HH22 ' A' ' 63' ' ' ARG . . . 74.4 19.0 79.95 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.755 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -92.28 39.85 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.422 ' HB3' HG22 ' B' ' 46' ' ' VAL . 12.5 p-10 -98.64 6.56 46.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -108.72 120.27 41.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.175 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.48 -26.78 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.868 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.89 -52.02 65.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.16 -25.54 47.32 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -65.94 -20.4 66.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 110.297 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -66.64 -14.77 62.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.112 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -128.89 38.21 3.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.339 0.59 . . . . 0.0 110.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.6 tt -84.51 141.21 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.466 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -94.93 164.12 13.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.79 -36.99 86.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.948 0.404 . . . . 0.0 110.333 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.78 -49.9 75.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.32 -41.4 84.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 33.6 mt -54.24 -58.0 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.601 0.238 . . . . 0.0 110.747 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -45.6 -40.47 8.91 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.833 178.25 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 3.5 tm-20 -64.48 -28.65 69.81 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.355 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.81 2.06 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.415 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 -3.96 31.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.997 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.7 t -84.34 61.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.443 0.64 . . . . 0.0 110.053 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.52 46.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.416 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.05 131.02 19.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.8 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.59 -55.77 3.03 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.221 2.614 . . . . 0.0 113.239 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.4 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.676 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -57.25 -47.69 80.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -63.92 -46.43 84.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.39 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 76' ' ' ARG . 12.5 tpt180 -58.22 -52.4 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.215 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.18 -42.47 98.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.964 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.44 -45.05 92.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.209 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.08 -39.38 81.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.77 -36.15 75.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -66.02 -34.13 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.654 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -83.07 -49.71 9.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.45 -59.23 5.68 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -80.36 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.377 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tttm . . . . . 0 C--O 1.252 1.193 0 O-C-N 123.663 0.602 . . . . 0.0 110.232 -179.356 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 t -53.7 -44.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.025 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.208 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.51 -37.7 85.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.334 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.423 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.5 t90 -66.04 -41.36 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.5 -20.58 62.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.787 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -81.17 -47.49 13.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.602 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -19.4 15.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 18' ' ' TRP . 2.7 pt -113.3 3.64 8.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 111.452 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp 57.25 46.56 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.36 25.87 9.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.72 -9.99 58.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.018 -1.447 . . . . 0.0 111.572 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -83.81 8.21 15.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 109.795 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -119.54 5.24 11.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.624 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -60.82 -38.92 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.557 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 47.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.729 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -150.94 -51.79 0.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.44 -40.12 77.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.751 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' HG22 ' A' ' 37' ' ' THR . 26.0 mmt -62.21 -40.93 97.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.697 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.13 -30.53 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.743 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.84 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.26 -5.43 52.46 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.098 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -89.38 78.96 7.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.196 0.522 . . . . 0.0 109.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.474 HG22 ' SD ' ' A' ' 32' ' ' MET . 3.1 p -103.32 2.97 34.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.505 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -145.45 149.49 34.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.62 -39.98 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 112.254 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -38.83 71.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.566 0.222 . . . . 0.0 111.42 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 1.1 mptp? -79.04 -36.12 41.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.38 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.539 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -58.33 -42.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.289 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.34 -9.0 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.703 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -84.13 -25.81 29.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.281 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 16.8 ptp -64.09 177.87 0.74 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.568 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 174.6 10.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -54.98 -46.65 75.13 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.86 -31.54 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -34.35 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.946 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 68' ' ' LEU . 92.7 mt -58.48 -33.27 47.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.747 0.784 . . . . 0.0 110.984 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -79.0 -16.52 56.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.259 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -92.6 -30.48 15.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 0.0 111.261 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 pt -72.97 -0.29 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.0 2.46 23.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.683 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.12 82.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 117.821 0.81 . . . . 0.0 110.394 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -17.12 57.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.683 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 47' ' ' HIS . 71.6 mt -78.71 118.03 69.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.672 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -60.49 -36.0 88.11 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.202 2.601 . . . . 0.0 113.962 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.55 -30.85 70.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.284 -0.96 . . . . 0.0 110.767 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -74.15 -32.71 63.24 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.67 -71.17 0.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.703 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -40.4 -41.44 1.39 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.032 0.833 . . . . 0.0 112.475 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -52.29 64.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.01 -46.95 92.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.495 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.54 -49.68 61.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.752 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.759 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.5 m -69.5 -28.51 66.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.607 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' CD1' HD11 ' A' ' 50' ' ' ILE . 75.9 mt -69.25 -30.33 68.44 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.093 0.473 . . . . 0.0 110.534 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.65 -45.62 93.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.173 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.66 92.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.893 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.72 -48.83 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -60.45 -44.37 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.937 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -35.85 78.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.709 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -66.81 -42.17 86.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.25 -13.31 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.247 0.546 . . . . 0.0 110.349 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -99.38 -4.03 32.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.418 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 m -84.36 132.15 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.271 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -134.12 19.46 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.536 0.208 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -57.54 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 110.336 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.789 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -69.05 -35.42 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.111 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' B' ' 42' ' ' GLU . 35.6 mt -84.27 -16.96 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.652 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -65.22 -12.55 52.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.358 0.599 . . . . 0.0 109.944 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.63 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.088 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -128.17 19.73 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.074 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.57 42.59 58.17 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 113.397 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.37 17.44 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.949 0.374 . . . . 0.0 111.456 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 pm0 -54.22 -20.32 6.73 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.505 ' CE2' HG22 ' B' ' 69' ' ' VAL . 2.6 m-85 -91.81 -26.01 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.745 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.4 ' HB2' HD12 ' B' ' 33' ' ' LEU . 51.3 tt0 -42.9 -63.84 0.73 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.87 -40.79 1.45 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.768 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.56 -34.24 63.35 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.481 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 9.8 mt -80.61 24.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.646 0.378 . . . . 0.0 111.662 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.55 -21.01 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.296 0.569 . . . . 0.0 110.397 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.426 ' HA ' HD13 ' A' ' 57' ' ' LEU . 29.6 m-70 -85.56 0.5 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.757 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.546 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 1.7 m120 -118.55 0.44 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.21 29.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.128 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 66.8 m95 -100.2 23.17 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.621 0.724 . . . . 0.0 109.309 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.5 27.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.546 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' B' ' 50' ' ' TRP . 31.4 t70 -147.41 121.83 9.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.295 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.71 -33.41 75.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.428 ' HB2' ' OD2' ' B' ' 52' ' ' ASP . 48.9 mt-10 -61.61 -46.51 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.623 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.79 -40.16 63.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.43 -20.78 63.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -63.08 -22.66 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.97 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.78 24.89 11.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.345 . . . . 0.0 111.351 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.01 138.94 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 50.6 p -100.04 176.62 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.41 -23.25 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.32 -51.97 26.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 28.9 m-20 -53.02 -47.2 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.324 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.544 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 76.7 mt -47.03 -62.61 1.33 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -35.08 -36.73 0.06 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 7.7 mt-10 -53.25 -41.73 65.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.37 11.74 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.07 3.61 61.77 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.184 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 3.3 t -82.84 65.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.226 0.536 . . . . 0.0 109.992 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -100.01 -2.54 34.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.78 131.85 69.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.223 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.7 -49.53 14.43 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.051 2.501 . . . . 0.0 112.936 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.34 85.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -56.7 -46.48 81.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -62.48 -51.31 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 0.0 110.571 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' B' ' 76' ' ' ARG . 41.1 tpt85 -56.29 -48.67 76.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.629 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.72 -44.3 94.0 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -45.49 90.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.578 0.228 . . . . 0.0 110.65 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.78 -33.88 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -36.76 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.273 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -62.03 -32.78 73.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.715 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.368 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -79.76 -55.69 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.192 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp -52.14 -55.84 18.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m -77.54 -33.13 54.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.584 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.374 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.19 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 120.671 0.272 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.99 -41.78 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -51.81 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.6 -38.47 78.03 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 111.211 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -72.08 -47.9 48.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.377 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.87 -26.45 62.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.12 -35.99 61.66 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.323 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -32.99 69.62 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.36 -1.54 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 67.73 33.84 4.71 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.574 0.546 . . . . 0.0 111.937 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.1 mmt -117.31 24.42 11.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -60.24 -19.93 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.077 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -78.13 2.76 16.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.534 -0.729 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -106.44 -2.97 21.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.668 0.27 . . . . 0.0 111.328 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -57.58 -29.8 64.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 29' ' ' GLU . 15.8 mt-10 -57.79 -47.9 81.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.259 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -78.23 -36.08 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.896 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.2 -49.24 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.99 -30.75 62.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.15 63.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.99 0.424 . . . . 0.0 110.723 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.71 -5.72 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.377 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.62 -0.86 52.77 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.217 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -94.14 75.11 4.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.399 0.619 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -84.82 -72.39 0.48 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.47 152.36 45.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -56.93 -35.75 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.85 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -28.83 68.19 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -85.09 -36.68 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 45' ' ' MET . 68.1 t -62.67 -40.4 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG12 ' HB3' ' A' ' 71' ' ' LEU . 18.3 m -73.13 -12.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 11.0 mm-40 -85.9 -18.63 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.3 ptp -66.75 -176.77 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -144.26 -175.4 4.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -56.76 -46.19 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.69 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.42 -43.31 75.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.634 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.76 -39.28 77.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.265 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.908 HD11 HD12 ' A' ' 68' ' ' LEU . 93.1 mt -56.15 -33.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 123.108 0.563 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -87.12 -38.27 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.409 0.623 . . . . 0.0 109.971 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -62.7 -34.68 77.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 pt -76.11 2.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.98 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.09 -75.22 0.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.456 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 t -28.37 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.26 -1.72 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.375 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 32.8 mt -90.02 126.96 55.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.244 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.76 -50.68 9.81 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.57 2.846 . . . . 0.0 114.346 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.73 -38.42 96.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.934 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 19.2 m80 -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 50' ' ' ILE . 30.9 mt-30 -74.38 -59.18 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.055 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -33.92 -52.13 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.491 1.119 . . . . 0.0 112.553 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -56.01 24.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.116 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.7 -44.46 93.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.92 79.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.85 -49.44 76.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 110.289 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -65.16 -29.63 70.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.979 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.908 HD12 HD11 ' A' ' 50' ' ' ILE . 8.8 mt -66.0 -38.1 87.62 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.709 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.62 -37.45 78.66 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.14 -42.29 76.93 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.738 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.61 ' HB3' HG12 ' A' ' 43' ' ' VAL . 9.3 mt -62.29 -43.78 98.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.301 . . . . 0.0 111.042 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 75' ' ' VAL . 66.7 mttm -62.94 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -38.93 79.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 110.676 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -63.63 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.65 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.6 p -71.89 -11.77 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.141 0.495 . . . . 0.0 111.048 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.2 -5.26 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.469 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 m -84.76 129.24 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.431 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.635 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.633 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.82 18.95 2.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.894 0.378 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -53.16 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.983 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.15 28.01 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -75.33 -48.58 22.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.99 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.15 -35.54 75.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.305 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.407 ' HD2' ' OE2' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -51.68 -7.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 177.407 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.65 -22.21 51.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.472 HD13 ' OG1' ' B' ' 81' ' ' THR . 8.1 pt -132.7 22.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.642 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.08 49.22 37.22 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.46 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.13 17.79 10.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' B' ' 34' ' ' ARG . 12.4 pm0 -57.48 -21.11 35.3 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.74 -12.64 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.559 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.502 ' CE1' HG22 ' B' ' 69' ' ' VAL . 2.6 m-85 -95.16 -18.0 21.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -48.74 -59.96 3.12 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -45.16 -42.56 9.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.282 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.71 -42.81 53.24 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.241 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 73.5 mt -61.09 -52.52 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.047 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 99.2 t -51.82 -37.49 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -59.84 -55.63 31.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.684 0.278 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -55.33 -67.54 0.27 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.128 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 163.51 36.4 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.464 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 10.8 m95 -121.82 58.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -94.08 28.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.931 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -145.93 -173.13 4.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.007 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.93 -22.04 2.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.864 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.79 -58.5 7.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.155 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.42 0.02 56.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.465 . . . . 0.0 109.929 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 tp -75.97 -15.21 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.638 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -30.4 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.92 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -98.27 75.69 2.28 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.32 148.72 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.312 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -110.17 172.95 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -64.49 -31.98 73.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.176 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.89 -47.32 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.754 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -55.67 -49.08 73.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.093 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.404 HD22 HD13 ' B' ' 78' ' ' LEU . 80.6 mt -55.23 -57.99 9.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.453 0.168 . . . . 0.0 110.957 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -36.64 7.47 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.006 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -60.17 -27.47 67.15 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.55 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.27 1.22 57.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.916 0.388 . . . . 0.0 111.191 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.22 12.36 29.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.795 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' B' ' 41' ' ' TYR . 4.6 t -93.12 66.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 110.184 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -87.31 -9.2 55.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.94 131.98 78.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.28 -43.72 13.78 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.882 2.388 . . . . 0.0 113.119 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -65.04 -42.45 94.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.9 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -62.1 -41.79 98.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -64.87 -54.29 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.13 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -53.77 -46.77 71.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.882 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -63.41 -44.51 94.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.132 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.404 HD13 HD22 ' B' ' 64' ' ' LEU . 0.5 OUTLIER -57.49 -50.0 74.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.693 0.283 . . . . 0.0 110.496 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 mp -55.46 -43.46 75.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.177 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.83 -39.84 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.472 ' OG1' HD13 ' B' ' 36' ' ' ILE . 30.5 m -61.62 -38.64 88.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.383 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.58 -43.79 93.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.01 -46.59 80.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.132 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.05 -39.75 75.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.751 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 m -76.65 -43.63 37.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.935 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.29 0 O-C-N 123.805 0.691 . . . . 0.0 110.839 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.74 0.305 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -61.35 -33.25 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.516 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -51.16 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -63.99 -32.73 74.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.608 0.242 . . . . 0.0 111.251 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -64.5 -47.16 79.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.217 0.532 . . . . 0.0 109.705 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.37 -8.32 55.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.21 -41.57 15.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.754 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.4 p -78.98 52.57 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -178.27 -15.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.504 1.122 . . . . 0.0 108.58 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HE3' ' OD2' ' B' ' 52' ' ' ASP . 71.1 mmtt 65.97 40.74 3.97 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.1 mmt -113.57 24.65 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.455 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -26.49 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.706 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -80.91 -8.38 59.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.217 0.917 . . . . 0.0 111.621 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -86.86 -3.52 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.766 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -63.13 -38.87 92.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.324 0.583 . . . . 0.0 109.709 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.33 49.67 1.61 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.413 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.03 -51.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.313 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.83 -39.89 94.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 41.1 mtt -75.62 -9.05 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.436 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.05 -10.15 31.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.07 -3.97 40.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.697 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.62 -7.33 29.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.959 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -88.35 80.08 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 4.96 41.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.168 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.44 159.32 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 111.123 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.51 -41.64 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -32.04 72.74 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.168 -0.333 . . . . 0.0 111.211 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -80.32 -30.96 38.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.999 0.428 . . . . 0.0 110.1 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 38' ' ' ALA . 64.4 t -63.35 -38.44 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.805 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.04 -7.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.334 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.75 -28.88 36.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.0 ptp -68.64 -176.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -135.13 -177.56 4.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -57.86 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.12 -26.62 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' HB2' ' H ' ' A' ' 46' ' ' THR . 1.4 t70 -59.04 -39.77 83.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.092 0.472 . . . . 0.0 110.663 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.749 HD11 HD12 ' A' ' 68' ' ' LEU . 92.9 mt -59.03 -33.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 123.24 0.616 . . . . 0.0 111.024 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -78.89 -13.57 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.542 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -90.94 -39.06 12.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.953 0.406 . . . . 0.0 110.205 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 pt -78.47 16.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.863 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.22 -98.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.508 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -11.0 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.506 1.522 . . . . 0.0 114.725 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.05 -17.18 25.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 110.988 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' B' ' 47' ' ' HIS . 57.9 mt -82.09 125.48 77.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -60.49 -37.57 79.79 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.953 2.436 . . . . 0.0 112.746 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -68.91 -38.01 84.35 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -66.81 -29.81 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -67.12 -64.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.646 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -40.15 -45.06 1.94 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.15 0.906 . . . . 0.0 112.649 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.86 -53.68 55.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.413 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.96 -46.49 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.033 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.72 84.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.37 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -57.65 -48.34 79.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -77.45 -7.2 55.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.791 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.749 HD12 HD11 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -89.29 -40.84 12.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.032 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.77 -36.08 78.07 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.94 93.45 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.714 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.43 -44.09 80.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.733 0.267 . . . . 0.0 110.671 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -61.76 -44.23 97.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.2 -41.93 85.0 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.613 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -62.46 -39.7 94.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.754 0.312 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.74 -13.86 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.431 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -10.56 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.083 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.7 m -86.48 131.32 34.21 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.071 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 78' ' ' VAL . 1.2 m . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.492 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -127.91 29.1 5.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.649 0.261 . . . . 0.0 111.092 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -53.0 62.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.418 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.55 67.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -68.44 -55.99 9.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.512 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.429 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 22.8 mt -61.38 -28.25 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.554 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 3.4 tpp180 -55.04 -21.92 14.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.626 0.371 . . . . 0.0 111.463 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.54 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.235 0.541 . . . . 0.0 110.372 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 pt -120.07 21.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.451 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.44 38.83 28.24 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.981 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 41' ' ' TYR . 0.9 OUTLIER -115.52 16.57 16.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.255 0.527 . . . . 0.0 110.587 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.429 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -54.94 -27.63 44.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.593 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -70.31 -3.13 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.853 0.359 . . . . 0.0 111.841 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' B' ' 38' ' ' LEU . 3.4 m-85 -91.66 -19.65 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.347 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 46' ' ' VAL . 73.0 tt0 -53.9 -27.54 31.05 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.714 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.55 -47.1 85.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.045 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.31 -31.28 59.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.3 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.54 19.3 0.37 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 42' ' ' GLU . 2.9 t -101.9 -24.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.496 0.665 . . . . 0.0 110.253 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 57' ' ' LEU . 25.1 m80 -75.7 -16.52 60.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.365 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.597 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.1 OUTLIER -101.15 -8.06 22.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.25 23.22 45.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.738 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.597 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 69.1 m95 -85.16 42.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.222 0.534 . . . . 0.0 110.08 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -7.98 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.64 0.734 . . . . 0.0 109.69 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.474 ' OD2' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -110.99 147.55 34.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.99 -21.21 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.51 -57.32 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.556 0.217 . . . . 0.0 111.539 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -71.56 -24.61 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.29 -19.52 65.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.217 0.532 . . . . 0.0 110.076 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.5 m -72.78 -3.33 24.68 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.091 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.42 21.73 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.335 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.4 tt -71.31 130.65 35.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.3 p -96.63 173.16 7.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.47 -28.47 69.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' B' ' 65' ' ' GLU . 22.3 mm-40 -68.55 -49.19 61.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.476 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -54.99 -45.25 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.452 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 mt -56.48 -62.2 1.88 Allowed 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 1.7 pp20? -46.16 -36.93 6.4 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.21 -33.97 71.61 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 111.508 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.57 4.81 34.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.1 -14.34 51.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.497 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.57 75.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.0 109.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.4 -4.44 26.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 11.2 t70 -73.29 131.14 83.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.78 -53.21 6.42 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.46 2.774 . . . . 0.0 113.825 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.39 88.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.572 0.225 . . . . 0.0 111.58 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 32.9 m170 -60.39 -41.84 94.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.3 -51.07 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.237 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -55.83 -46.38 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.55 -43.71 96.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.029 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -44.29 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -56.79 -37.4 71.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.963 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.71 -35.47 65.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.7 m -62.04 -32.66 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.575 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.6 -38.13 63.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.049 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -84.04 -54.91 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.75 -43.9 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 48.9 m -103.8 -22.47 13.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.0 mttm . . . . . 0 C--O 1.253 1.281 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.738 -179.256 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.75 0.31 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 t -52.18 -41.88 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.768 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.23 75.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.946 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 21.0 mt-10 -62.34 -43.81 97.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -66.29 -44.29 83.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 0.0 109.579 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.34 -28.51 69.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.825 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 1.6 pp20? -84.72 -38.72 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -53.35 -35.28 60.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.947 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.404 ' HA ' ' CE1' ' B' ' 55' ' ' PHE . 25.3 pt -93.59 3.91 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 59.98 40.25 19.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.9 0.381 . . . . 0.0 111.5 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.43 ' SD ' ' HE2' ' A' ' 27' ' ' TYR . 16.1 mmt -128.73 31.44 4.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.87 -12.32 61.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.156 -1.383 . . . . 0.0 113.474 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -80.34 1.2 29.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.656 -0.652 . . . . 0.0 111.451 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' HE2' ' SD ' ' A' ' 24' ' ' MET . 77.9 m-85 -106.46 2.92 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.206 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -59.78 -31.8 70.01 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.596 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.74 -44.75 93.65 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.765 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -73.0 -39.01 66.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.539 0.685 . . . . 0.0 111.21 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.528 ' SD ' HG22 ' A' ' 37' ' ' THR . 18.3 mmt -68.28 -30.93 70.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.971 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.12 -20.09 42.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.558 0.218 . . . . 0.0 111.424 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.32 0.49 48.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.47 -10.05 64.88 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.854 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -88.55 75.44 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.493 0.663 . . . . 0.0 109.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.528 HG22 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -95.92 4.49 52.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.229 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -155.01 158.38 39.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.575 0.226 . . . . 0.0 110.545 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.22 -42.56 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.4 mp0 -56.02 -38.96 71.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.882 0.373 . . . . 0.0 111.316 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.64 -37.77 35.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.154 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 45' ' ' MET . 73.7 t -59.78 -43.52 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.242 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 34.7 m -75.17 -7.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 24.0 mt-30 -87.84 -22.52 24.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.617 0.246 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.0 ptp -66.92 177.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.364 0.602 . . . . 0.0 111.5 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 48' ' ' ASP . 12.1 t -133.96 178.7 6.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.408 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -55.41 -38.5 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 111.628 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' H ' HG23 ' A' ' 46' ' ' THR . 12.2 t70 -59.2 -39.45 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -58.71 -37.49 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.936 HD11 HD11 ' A' ' 68' ' ' LEU . 41.8 mm -58.13 -30.98 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 121.164 0.507 . . . . 0.0 111.016 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -89.82 -20.42 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.486 . . . . 0.0 110.731 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -82.25 -34.52 28.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.7 pt -73.21 -3.26 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.145 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.38 -82.42 0.31 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.019 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -19.37 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.05 1.34 . . . . 0.0 114.366 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -6.77 30.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.826 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.473 HD23 ' HD2' ' A' ' 58' ' ' PRO . 3.5 mt -75.66 117.35 62.92 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' HD23 ' A' ' 57' ' ' LEU . 18.6 Cg_endo -58.55 -44.65 35.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.54 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -59.44 -43.42 97.47 Favored Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.133 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.8 -23.24 66.66 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 37.8 mt-30 -79.29 -11.44 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.846 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -91.77 -48.14 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.569 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -36.15 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.512 HG21 HD12 ' A' ' 50' ' ' ILE . 87.1 mt -71.21 -43.94 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.065 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -61.0 -37.89 84.12 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.268 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -56.99 11.75 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.678 0.752 . . . . 0.0 110.684 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -66.05 -39.65 90.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.405 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.936 HD11 HD11 ' A' ' 50' ' ' ILE . 14.3 mt -53.5 -45.54 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.248 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.0 mt -58.86 -42.31 89.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.202 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.13 -44.17 96.12 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.805 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.45 -40.87 83.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 43' ' ' VAL . 97.0 mttt -66.74 -42.07 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.08 -36.47 83.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.48 -41.14 98.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.836 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.2 p -74.01 -16.81 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.308 0.575 . . . . 0.0 110.623 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.94 -16.95 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 m -74.75 128.59 35.93 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.497 -0.764 . . . . 0.0 111.053 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.529 ' SD ' HD22 ' B' ' 56' ' ' LEU . 24.4 ptt? -131.68 20.54 4.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.977 0.417 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -56.61 19.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.1 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -74.65 -30.4 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.97 -23.25 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.654 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.511 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -52.55 -22.63 5.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 178.005 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.28 -37.55 72.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.757 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 pt -122.91 22.36 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.71 45.18 39.26 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.486 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.0 13.0 13.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.835 0.318 . . . . 0.0 111.348 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.511 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 11.4 pm0 -54.33 -25.51 24.38 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -68.59 -5.38 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -100.42 -19.62 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -45.47 -62.31 1.33 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.652 0.263 . . . . 0.0 111.705 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -43.58 -45.29 6.62 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.194 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.98 -31.36 75.15 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.88 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 2.8 mt -75.98 -58.37 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.504 0.192 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' B' ' 51' ' ' ASP . 41.9 t -29.83 -51.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -52.45 -33.29 43.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.54 ' HA ' ' C ' ' A' ' 59' ' ' GLY . 2.3 m-20 -94.97 16.79 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.94 46.18 4.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.111 -1.043 . . . . 0.0 112.418 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.409 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 79.2 m95 -129.74 31.39 4.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.6 0.714 . . . . 0.0 109.099 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.445 ' HB3' HG13 ' B' ' 46' ' ' VAL . 15.2 p-10 -87.83 -6.27 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.424 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -113.7 128.22 56.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.942 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.68 -32.37 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.282 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -19.1 62.11 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.199 0.523 . . . . 0.0 110.725 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 22' ' ' ILE . 19.5 t80 -93.65 -34.57 13.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.794 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.529 HD22 ' SD ' ' B' ' 29' ' ' MET . 5.8 tp -67.9 -23.91 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.521 ' HA ' HD22 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -70.19 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.347 . . . . 0.0 111.312 -179.715 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -108.3 17.2 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 110.62 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -69.62 148.55 11.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.065 0.46 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -102.6 170.22 8.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.07 -6.73 47.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.532 . . . . 0.0 109.957 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -100.88 -47.82 4.67 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.653 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 5.5 m-20 -56.48 -28.08 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.437 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.419 HD21 HD22 ' B' ' 78' ' ' LEU . 11.6 mt -55.03 -50.88 67.96 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.406 -0.184 . . . . 0.0 110.929 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.15 -36.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.739 0.649 . . . . 0.0 111.934 177.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.653 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 0.2 OUTLIER -49.91 -36.89 29.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.68 9.37 30.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.26 -3.31 63.95 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.86 77.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.143 0.497 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.444 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 83.0 mt-30 -104.14 15.89 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -96.33 132.28 26.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.49 -48.66 14.47 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.095 2.53 . . . . 0.0 113.443 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.99 83.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.577 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -59.62 -45.95 90.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.647 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.56 -51.36 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 0.0 110.549 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -55.56 -46.07 77.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.285 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.83 -41.93 98.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.391 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.419 HD22 HD21 ' B' ' 64' ' ' LEU . 2.4 tt -61.44 -48.95 78.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.664 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.54 -40.85 79.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.372 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.38 -38.73 85.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 0.0 110.357 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -66.44 -35.41 80.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.187 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 57' ' ' SER . 32.5 mt -54.01 -40.65 67.17 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 120.882 0.373 . . . . 0.0 111.014 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -76.8 -46.68 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.776 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.63 -54.78 42.47 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.8 m -80.88 -32.8 34.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 13.5 mttm . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.477 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.31 -47.38 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -45.2 87.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.914 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.16 -37.21 84.35 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.047 0.451 . . . . 0.0 110.288 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 67' ' ' SER . 63.1 t90 -68.05 -46.26 71.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.823 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.94 -37.13 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.844 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.82 -40.6 97.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.51 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 pt -90.56 -0.99 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 122.127 -0.358 . . . . 0.0 110.938 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HG3' ' CG ' ' B' ' 52' ' ' ASP . 71.7 mmtt 67.85 26.44 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.579 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 37.5 mmt -103.62 31.72 4.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.92 -35.55 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.23 -0.896 . . . . 0.0 113.315 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -73.81 -4.57 35.57 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 121.4 -0.813 . . . . 0.0 112.297 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 69.0 m-85 -92.95 1.59 57.22 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.724 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m -61.98 -32.68 73.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.68 46.34 1.15 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.898 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 50.2 m80 -155.24 -56.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.462 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -59.3 -45.68 90.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.267 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.511 ' SD ' HG22 ' A' ' 37' ' ' THR . 22.8 mmt -63.35 -33.4 75.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.94 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.59 -17.82 43.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 111.515 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.77 0.9 55.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.753 0.311 . . . . 0.0 111.381 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.23 76.77 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.511 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -92.04 69.99 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.511 HG22 ' SD ' ' A' ' 32' ' ' MET . 15.6 p -82.04 -75.23 0.31 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.232 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . . . -69.22 153.25 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.926 0.393 . . . . 0.0 111.431 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.85 -38.45 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 2.5 mp0 -59.34 -30.64 68.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.766 0.317 . . . . 0.0 110.901 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HE2' ' HB3' ' A' ' 38' ' ' ALA . 2.4 mppt? -83.56 -35.58 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 45' ' ' MET . 91.6 t -60.63 -39.63 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.857 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 71' ' ' LEU . 19.8 m -75.41 -11.77 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 76.6 mt-30 -85.36 -18.87 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.386 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 7.6 ptp -65.53 174.93 1.99 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.015 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 11.0 t -129.2 174.64 9.39 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.14 -43.93 82.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.843 0.354 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.88 -35.27 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' THR . 37.5 m-20 -56.91 -41.89 78.95 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.876 HD12 HG21 ' A' ' 64' ' ' ILE . 41.7 mm -56.43 -34.46 41.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.658 0.742 . . . . 0.0 110.962 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -85.72 -14.36 45.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.343 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -94.38 -30.52 14.44 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.369 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.2 pt -76.13 6.33 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.924 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.14 -82.04 0.31 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.054 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 27' ' ' TYR . 1.9 t -24.34 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -103.35 -5.33 23.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.759 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.1 mt -86.11 127.1 63.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.444 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.22 -46.24 35.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.746 2.964 . . . . 0.0 114.013 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.59 -38.81 78.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.402 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 37.9 m-70 -63.84 -31.97 73.33 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -69.69 -58.04 4.41 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.49 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -36.48 -51.68 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.896 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -58.25 7.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.876 HG21 HD12 ' A' ' 50' ' ' ILE . 56.7 mt -61.3 -49.66 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.621 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -55.36 -39.56 70.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.709 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.98 -55.84 28.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.368 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.432 ' HB2' ' NE1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -58.42 -35.16 71.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.701 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 50' ' ' ILE . 33.4 mt -62.12 -39.73 93.52 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 45.3 mt -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.271 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.32 89.69 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.508 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' A' ' 43' ' ' VAL . 26.6 mt -57.0 -45.77 82.79 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.631 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 75' ' ' VAL . 26.4 mttt -64.92 -40.91 95.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.45 -43.7 89.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -59.08 -45.13 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.797 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.0 p -71.25 -13.77 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 111.641 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -94.01 -5.17 48.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.182 0.515 . . . . 0.0 110.375 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.7 m -100.18 142.56 31.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.053 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 78' ' ' VAL . 1.4 m . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.533 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -119.67 2.78 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.817 -0.226 . . . . 0.0 111.002 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -49.14 78.35 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.58 44.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.848 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.45 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 30.7 t90 -76.79 -47.21 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.45 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 59.8 mt -80.05 29.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 13.1 tpp180 -109.47 1.21 19.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.77 -11.12 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.894 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.412 HD13 ' OG1' ' B' ' 81' ' ' THR . 15.1 pt -134.65 17.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.95 54.25 19.25 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.579 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -126.67 10.77 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.773 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pm0 -59.23 -25.54 64.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.392 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -10.48 56.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.22 -9.97 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.38 -62.55 1.43 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -46.82 -40.42 13.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.31 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.81 -38.42 96.13 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.397 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.55 -47.56 26.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.457 0.17 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 73.4 t -44.91 -36.22 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -18.96 46.62 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.506 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 74.3 m-20 -108.78 26.23 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.49 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.402 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 69.57 49.5 37.03 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.257 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -121.22 31.43 6.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 110.269 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.18 41.05 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.81 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -152.5 174.33 14.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.094 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.42 -16.83 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.629 0.252 . . . . 0.0 111.476 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.74 -49.81 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.268 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.34 -30.95 63.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.7 -15.27 63.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -66.02 -22.68 66.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -125.22 60.91 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.485 0.659 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -94.02 151.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.997 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -100.12 162.06 13.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.88 -27.43 68.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.77 -45.79 70.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.19 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -43.67 78.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.487 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 67.5 mt -57.11 -54.78 42.84 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.96 31.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.822 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -65.73 -11.15 43.12 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.55 -0.77 31.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.675 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 -11.51 33.16 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.737 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.2 t -83.73 74.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.317 0.579 . . . . 0.0 110.203 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -92.86 2.11 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -84.19 129.31 58.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.3 -43.18 29.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.983 2.455 . . . . 0.0 113.104 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -63.72 -48.7 76.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.555 0.217 . . . . 0.0 111.397 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -62.37 -37.72 86.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.607 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -64.02 -57.27 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.78 -43.9 69.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.498 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -57.99 -48.4 80.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.99 -48.09 83.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.93 -45.1 74.76 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -40.14 91.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.412 ' OG1' HD13 ' B' ' 36' ' ' ILE . 29.9 m -65.53 -38.59 90.09 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.76 -48.19 80.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -67.5 -40.36 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.53 -30.38 65.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -91.05 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.361 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.323 0.106 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 t -52.35 -40.0 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 123.406 0.441 . . . . 0.0 111.526 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.884 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.66 -34.29 69.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -67.47 -41.81 84.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.6 mt -73.18 -26.09 61.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.033 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.28 -48.01 74.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -51.15 50.33 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.43 5.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 O-C-N 121.943 -0.473 . . . . 0.0 111.467 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HG3' ' HB2' ' B' ' 55' ' ' PHE . 14.9 mmtp 59.67 40.36 20.05 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.41 0.624 . . . . 0.0 111.651 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 mmt -111.86 32.79 5.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -57.83 -30.41 65.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.68 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pm0 -77.91 -9.92 59.32 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 121.918 -0.489 . . . . 0.0 111.536 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.74 -3.01 58.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 110.82 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -66.27 -26.24 67.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 109.764 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -83.88 48.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.308 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -44.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.469 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -59.83 -44.46 94.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.607 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.702 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 25.9 mmt -71.69 -25.29 62.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.298 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -18.08 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 0.0 110.85 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.2 -4.36 59.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.551 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.6 -10.02 55.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.738 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -87.09 76.57 9.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.3 0.571 . . . . 0.0 109.721 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.702 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -95.18 5.82 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.613 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.08 156.78 39.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.73 0.3 . . . . 0.0 110.861 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -53.98 -42.25 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.8 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.69 -33.98 76.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.236 -178.525 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -78.56 -35.81 45.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.6 t -61.62 -37.92 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.288 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.591 HG12 ' HB3' ' A' ' 71' ' ' LEU . 17.1 m -75.49 -12.19 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.638 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -82.45 -25.67 33.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.817 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.567 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.0 ptp -65.5 173.66 2.59 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.416 HG22 ' OD2' ' A' ' 49' ' ' ASP . 6.6 t -132.62 -179.09 5.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.18 -44.01 71.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.655 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' H ' HG23 ' A' ' 46' ' ' THR . 25.9 t70 -59.77 -39.51 85.09 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' A' ' 46' ' ' THR . 5.1 m-20 -54.05 -45.35 71.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.749 0.309 . . . . 0.0 111.273 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.874 HD12 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -56.04 -42.16 71.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 123.738 0.815 . . . . 0.0 110.997 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -81.6 -11.08 59.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.702 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -95.62 -36.05 11.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -76.41 18.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.136 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.17 -93.28 0.41 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.081 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -9.09 81.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.641 1.577 . . . . 0.0 114.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -88.84 -16.22 32.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' B' ' 47' ' ' HIS . 41.5 mt -76.19 119.47 77.43 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 13.9 Cg_endo -55.52 -39.93 88.27 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.137 2.558 . . . . 0.0 113.598 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.553 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -64.31 -46.2 91.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.41 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.434 ' CD2' HD12 ' A' ' 57' ' ' LEU . 23.7 m-70 -63.21 -31.58 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -61.83 -66.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.81 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -39.04 -46.68 1.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.09 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -59.79 -46.43 89.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.897 179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.874 HG21 HD12 ' A' ' 50' ' ' ILE . 93.4 mt -68.39 -44.77 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -60.44 -39.07 86.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.053 0.454 . . . . 0.0 110.945 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -67.03 -41.01 87.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 m -68.44 -29.63 68.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.092 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 50' ' ' ILE . 15.8 mt -66.57 -36.39 82.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.425 0.155 . . . . 0.0 111.417 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 42.4 mt -60.98 -38.44 85.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.84 96.45 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.469 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.591 ' HB3' HG12 ' A' ' 43' ' ' VAL . 12.7 mt -60.84 -46.47 90.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.885 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.499 ' O ' HG12 ' A' ' 75' ' ' VAL . 37.7 mttm -63.24 -39.97 96.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.11 -43.11 93.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.92 -37.65 87.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.6 p -75.86 -10.06 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.253 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -89.85 -11.63 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.2 125.65 27.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.867 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.859 -0.497 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -126.94 24.51 6.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -53.36 59.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.052 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.21 65.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.177 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -68.51 -50.88 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.025 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.489 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -60.05 -6.23 1.3 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.3 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 pt -127.84 27.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.187 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.42 51.65 21.07 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.916 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 12.97 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.038 0.419 . . . . 0.0 111.654 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -53.08 -24.46 10.11 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.95 -11.46 60.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -87.81 -22.92 24.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.48 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.466 ' O ' HG23 ' B' ' 46' ' ' VAL . 29.9 tt0 -48.71 -51.42 28.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.197 0.31 . . . . 0.0 110.946 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -43.62 -46.11 7.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.642 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.74 60.33 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.551 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.15 24.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.467 0.307 . . . . 0.0 111.645 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 42' ' ' GLU . 46.2 t -104.13 -38.26 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.646 ' HA ' HD13 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -71.11 -4.85 27.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.692 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.553 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 2.2 m120 -114.87 3.95 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.199 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.69 38.55 61.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.711 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -109.92 19.55 18.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.431 0.634 . . . . 0.0 109.512 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.05 -19.22 40.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.998 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.13 112.61 20.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.632 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 30.8 mt -58.44 -37.06 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -62.03 -38.11 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.554 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t80 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 tp -61.69 -24.93 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -68.66 -11.96 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -117.73 16.87 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.942 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.3 144.24 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.008 0.432 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -92.81 177.18 6.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.91 -6.57 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -94.38 -43.88 8.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.022 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.16 -33.24 51.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.609 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.25 -57.05 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -42.7 -34.21 0.86 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 1.2 mm-40 -56.18 -40.08 73.39 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.06 20.5 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.878 0.371 . . . . 0.0 111.499 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.07 84.83 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.549 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 62.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.49 0.662 . . . . 0.0 110.132 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.17 23.37 9.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.936 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -107.39 133.9 20.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.381 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.04 -52.07 8.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.239 2.626 . . . . 0.0 113.307 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.59 89.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.714 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -62.36 -44.71 95.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -61.18 -52.14 66.08 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.38 -49.38 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.032 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.16 -47.43 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.787 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -48.76 80.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 110.339 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' B' ' 82' ' ' LEU . 6.0 tp -56.17 -41.73 75.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.91 -39.39 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.9 m -62.5 -35.44 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.216 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 79' ' ' LEU . 78.9 mt -53.66 -39.76 65.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.53 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -80.21 -52.04 8.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.403 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 35.3 tp -52.52 -62.22 1.78 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m -75.38 -37.69 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.453 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.709 0.29 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' H ' HG23 ' A' ' 15' ' ' VAL . 15.3 t -49.07 -41.96 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.958 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -40.95 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.863 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mt-10 -63.88 -35.16 79.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 111.339 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -72.86 -36.13 67.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.161 0.505 . . . . 0.0 109.961 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -75.53 -38.54 59.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.569 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -69.64 -39.34 77.17 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -58.5 -41.05 84.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 pt -86.84 3.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.176 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 19.7 mmtp 58.57 42.55 20.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.183 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.32 26.64 9.08 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.043 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -75.37 -2.77 30.02 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 119.084 0.856 . . . . 0.0 111.327 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' HG22 ' A' ' 55' ' ' VAL . 73.7 m-85 -92.43 8.55 38.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 0.0 110.186 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -71.71 -27.38 62.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.46 43.81 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.672 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -160.39 -51.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.28 -41.05 79.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.222 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.546 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 24.7 mmt -72.6 -24.53 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.19 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -24.57 40.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.066 0.46 . . . . 0.0 110.695 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.6 -3.06 52.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.068 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.29 -3.72 61.88 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.07 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.45 77.46 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.43 0.634 . . . . 0.0 109.505 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.546 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.5 p -97.7 5.44 49.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.885 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -149.58 153.69 37.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.6 mm -58.65 -34.96 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.65 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.68 -32.36 73.42 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.526 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -79.66 -38.19 34.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' A' ' 45' ' ' MET . 75.7 t -58.3 -41.26 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.403 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 71' ' ' LEU . 29.3 m -74.12 -16.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.564 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -82.47 -26.04 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 7.9 ptp -66.68 176.87 1.79 Allowed 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.3 t -136.18 178.15 7.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.29 -36.04 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.9 78.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.084 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.11 -48.67 78.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -53.67 -43.46 55.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 C-N-CA 123.614 0.766 . . . . 0.0 111.008 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -77.73 -10.25 59.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.043 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -103.42 -34.88 8.57 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -76.13 15.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.44 -94.31 0.35 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.944 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 27' ' ' TYR . 1.6 t -10.6 87.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.527 1.531 . . . . 0.0 114.486 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -93.92 -15.57 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.568 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 57' ' ' LEU . 37.7 mt -75.32 129.52 82.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.71 -47.72 22.19 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.564 2.843 . . . . 0.0 113.816 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.59 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.61 -34.96 73.75 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 120.061 -1.066 . . . . 0.0 112.852 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -65.03 -29.81 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.767 0.794 . . . . 0.0 109.071 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -72.66 -64.57 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.97 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -35.88 -48.49 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.196 0.935 . . . . 0.0 112.917 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.541 ' HD3' ' CE2' ' B' ' 55' ' ' PHE . 0.1 OUTLIER -58.17 -49.06 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.053 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.89 HG21 HD12 ' A' ' 50' ' ' ILE . 90.0 mt -65.9 -47.51 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.224 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.75 81.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.071 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -54.97 -49.95 70.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.437 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -62.6 -33.58 75.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.86 -38.78 92.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.82 -41.13 90.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.22 91.35 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.826 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' HB3' HG12 ' A' ' 43' ' ' VAL . 43.2 mt -57.87 -45.3 86.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.762 0.315 . . . . 0.0 110.985 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 mttm -61.82 -43.19 99.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.0 -42.35 94.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.26 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 15.2 mm-40 -58.55 -42.88 88.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.953 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.5 p -74.02 -10.01 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.398 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.45 -15.85 23.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 110.528 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.0 m -75.36 132.3 40.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.606 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -135.87 23.73 3.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.73 0.265 . . . . 0.0 111.426 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -56.67 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.6 -27.02 57.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.107 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -75.64 -57.46 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' B' ' 42' ' ' GLU . 83.4 mt -59.52 -31.63 69.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.0 -10.16 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -29.24 65.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.042 0.449 . . . . 0.0 109.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 pt -129.84 27.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.71 49.0 17.39 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 113.659 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.35 14.13 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.486 -0.42 . . . . 0.0 111.501 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -55.36 -25.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.084 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -69.56 -0.4 6.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.634 0.254 . . . . 0.0 111.547 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -105.31 -21.48 13.23 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.455 -0.153 . . . . 0.0 111.375 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.43 ' HB2' HD12 ' B' ' 33' ' ' LEU . 68.8 tt0 -48.0 -52.83 18.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.311 0.382 . . . . 0.0 110.921 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -48.05 7.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.372 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.42 44.73 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.747 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.8 -58.89 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.363 0.125 . . . . 0.0 111.208 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -44.75 -37.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.86 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.59 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 1.4 m-80 -112.95 27.24 9.79 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.373 -0.531 . . . . 0.0 112.061 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.6 54.79 4.85 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.205 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -133.01 34.21 3.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.486 0.66 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -78.34 -17.28 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.583 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' HG3' ' A' ' 23' ' ' LYS . 29.1 t70 -104.42 127.74 52.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.04 -29.7 60.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.437 ' HB2' ' HZ2' ' A' ' 23' ' ' LYS . 18.0 mt-10 -63.02 -44.39 96.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.225 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.541 ' CE2' ' HD3' ' A' ' 63' ' ' ARG . 31.8 t80 -73.48 -28.9 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.5 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.4 -24.56 66.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -16.55 64.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -112.02 24.51 12.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.901 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.0 tt -76.36 148.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.148 0.499 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.8 p -102.34 166.23 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.137 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.88 -15.01 62.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.11 -52.8 6.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.573 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -22.38 65.98 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.4 -51.38 69.66 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -41.28 -37.66 1.01 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.71 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -54.7 -33.58 61.13 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.69 10.7 24.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.87 0.367 . . . . 0.0 111.567 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.03 -4.15 70.94 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.304 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.64 71.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.054 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.64 -8.23 35.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.715 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -76.44 128.6 81.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.76 -46.15 31.62 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.148 2.565 . . . . 0.0 113.367 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.0 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.618 0.247 . . . . 0.0 111.552 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -60.29 -39.03 85.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.85 -54.75 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 109.756 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -54.97 -44.86 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.924 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.47 -47.55 83.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.387 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -49.26 77.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.355 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' B' ' 82' ' ' LEU . 1.2 mp -54.88 -43.03 72.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.244 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.98 -41.64 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.05 0.453 . . . . 0.0 110.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 m -64.74 -34.34 78.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.429 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' B' ' 79' ' ' LEU . 83.4 mt -53.95 -47.77 70.94 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 120.736 0.303 . . . . 0.0 110.998 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -73.96 -45.72 48.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.785 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.45 -48.79 71.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 m -97.01 -35.95 10.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 mttm . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.105 -178.649 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.68 -39.27 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -50.74 71.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.43 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.42 -31.64 71.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.851 0.358 . . . . 0.0 111.6 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.178 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -79.36 -33.25 43.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.862 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.56 -45.54 86.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.972 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.19 -40.41 67.53 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -88.47 5.04 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.85 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt 67.77 35.08 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.555 0.742 . . . . 0.0 111.87 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 mmt -114.22 25.58 10.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -27.4 38.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.01 -0.996 . . . . 0.0 113.103 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -82.11 -4.38 56.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.542 0.61 . . . . 0.0 111.809 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CD1' HG22 ' A' ' 55' ' ' VAL . 74.1 m-85 -96.74 2.31 51.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 m -64.34 -32.38 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.794 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.07 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.82 0.819 . . . . 0.0 109.638 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.037 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.2 -41.6 98.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 110.578 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtt -61.68 -45.51 93.69 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.545 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.8 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 110.756 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 -20.34 60.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.497 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.6 44.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.734 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.19 73.67 4.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.159 0.504 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.6 13.72 33.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -148.77 146.26 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.361 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.9 mm -53.66 -43.29 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.23 -27.42 69.04 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.53 -178.504 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 19.9 mttp -84.99 -34.68 22.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.744 0.307 . . . . 0.0 110.714 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.7 t -59.7 -36.91 68.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.75 -5.3 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 41' ' ' LYS . 77.0 mt-30 -83.68 -24.41 31.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.649 0.261 . . . . 0.0 110.749 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.602 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 12.2 ptp -64.67 179.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 111.555 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 t -139.22 176.08 9.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.79 -52.36 60.51 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.349 0.406 . . . . 0.0 111.814 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.54 -36.41 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 111.584 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -62.53 -37.75 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.299 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.85 HD11 ' CD1' ' A' ' 68' ' ' LEU . 93.2 mt -60.02 -28.96 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.592 0 CA-C-O 121.583 0.706 . . . . 0.0 111.018 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 61' ' ' GLN . 16.4 mtpp -86.72 -13.94 43.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.294 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 52' ' ' ARG . 15.4 ttp85 -91.2 -38.49 12.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.2 pt -70.34 11.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.689 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.38 -85.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.955 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 55' ' ' VAL . 3.5 t -23.93 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.552 1.141 . . . . 0.0 113.842 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -97.23 -11.55 24.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 58' ' ' PRO . 80.5 mt -78.19 120.63 81.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.105 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -59.0 -42.24 53.76 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.207 2.604 . . . . 0.0 113.331 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.442 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -68.93 -31.59 72.78 Favored Glycine 0 N--CA 1.44 -1.058 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.105 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -71.76 -30.08 65.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG2' HG22 ' A' ' 50' ' ' ILE . 32.0 mt-30 -68.21 -62.29 1.46 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.18 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -43.44 -43.16 5.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.752 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.63 -52.93 63.4 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.22 0.533 . . . . 0.0 109.903 178.597 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.72 -43.58 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.269 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.46 -37.62 73.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.369 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.569 0.7 . . . . 0.0 110.322 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 m -71.26 -24.2 62.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.899 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.85 ' CD1' HD11 ' A' ' 50' ' ' ILE . 12.9 mt -71.23 -32.83 69.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.6 mt -64.61 -42.1 95.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.75 -45.98 94.82 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.061 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.41 -43.78 88.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 111.446 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 75' ' ' VAL . 58.9 mttm -65.89 -38.66 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.28 -41.27 73.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.296 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -66.81 -35.73 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.518 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.4 p -72.62 -17.82 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.374 0.607 . . . . 0.0 110.126 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -92.56 -8.91 43.03 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.203 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -84.41 127.19 33.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.852 179.613 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.179 -0.368 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -130.87 30.8 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -59.99 -49.57 77.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.165 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.35 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.676 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -69.21 -42.56 75.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.955 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.8 -28.02 60.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.153 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.472 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 6.0 tpp180 -59.68 -22.29 61.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.983 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.67 68.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.589 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.421 HD13 ' OG1' ' B' ' 81' ' ' THR . 14.9 pt -121.48 17.73 5.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.686 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.85 46.16 60.58 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.49 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.57 14.17 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.933 0.366 . . . . 0.0 110.972 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.472 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 2.9 pm0 -53.37 -21.61 6.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -72.27 -15.16 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -86.38 -22.87 26.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.483 ' O ' HG23 ' B' ' 46' ' ' VAL . 70.9 tt0 -49.75 -31.17 10.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.0 -48.27 73.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.88 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.17 -28.9 55.2 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.796 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.14 14.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 42' ' ' GLU . 49.0 t -102.63 -28.25 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.243 0.544 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -77.46 -10.87 59.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.263 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.497 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 1.0 OUTLIER -111.35 -2.46 15.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.623 0.249 . . . . 0.0 111.112 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.13 52.92 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.699 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 56.9 m95 -116.25 21.5 13.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.104 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.87 5.11 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -111.2 112.02 23.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.261 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.79 -53.93 43.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.176 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.56 -28.6 66.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.237 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.85 -22.37 66.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.998 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.6 m -76.47 -2.49 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.744 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.29 17.49 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.188 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.5 tt -70.06 141.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 59.4 p -102.17 177.54 4.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.0 -16.6 61.51 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.68 -52.76 10.77 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.454 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -52.06 -46.09 65.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -48.83 -61.72 1.9 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.511 0.196 . . . . 0.0 110.661 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -42.53 -47.28 5.1 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.805 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.16 -31.75 67.55 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.05 4.57 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 111.476 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.44 -8.36 60.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.653 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 t -82.33 75.59 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.218 0.533 . . . . 0.0 110.047 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -96.95 -12.79 22.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.283 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 30.1 t70 -69.55 128.86 91.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.975 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 71' ' ' ASP . 65.0 Cg_exo -52.48 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.323 2.682 . . . . 0.0 113.377 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.1 90.26 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 35.6 m80 -61.66 -41.14 97.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.834 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -64.2 -47.78 78.45 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -57.88 -49.94 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.637 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.49 -48.7 78.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.941 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -45.32 89.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.579 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.14 -36.61 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.74 -37.87 64.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.181 0.515 . . . . 0.0 110.231 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.448 ' HA ' ' HB3' ' B' ' 84' ' ' LEU . 13.7 m -60.79 -34.42 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.123 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 95.5 mt -53.3 -31.05 42.09 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.043 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.41 -49.46 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' B' ' 81' ' ' THR . 14.6 tp -47.23 -48.55 24.19 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.742 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 4.51 18.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.0 mttm . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.203 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.756 0.312 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.11 -40.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.412 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 p -57.2 -43.57 82.87 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.333 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.47 -47.42 86.21 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.673 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 7.2 t90 -61.21 -55.53 31.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.526 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 18.2 mt -58.61 -41.78 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.684 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.38 -46.63 88.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.462 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.7 p -62.16 -39.68 93.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.9 pt -85.12 -1.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 121.495 -0.753 . . . . 0.0 110.543 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 71.65 18.59 5.25 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.937 177.805 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 mmt -100.16 26.97 5.96 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -54.76 -33.33 61.16 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -77.44 14.77 0.9 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.37 4.17 10.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.203 0.525 . . . . 0.0 110.056 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -65.86 -35.51 80.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.682 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.13 5.65 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.459 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.22 -41.71 3.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -59.57 -45.12 92.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.611 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.72 ' SD ' HG22 ' A' ' 37' ' ' THR . 20.0 mmt -62.4 -26.6 68.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.953 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.07 46.33 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.0 110.917 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -26.68 61.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.5 14.31 7.6 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.337 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.27 71.16 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.38 0.609 . . . . 0.0 109.952 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.72 HG22 ' SD ' ' A' ' 32' ' ' MET . 22.9 p -99.35 15.11 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.855 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -150.35 153.02 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.69 -45.2 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.98 -38.55 91.59 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.301 -178.549 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG3' ' OE1' ' A' ' 40' ' ' GLU . 3.1 mttp -66.83 -35.83 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.237 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 38' ' ' ALA . 52.0 t -59.99 -39.09 79.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.35 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.59 -36.2 33.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.411 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 1.9 ptp -61.08 178.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.335 0.588 . . . . 0.0 111.513 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.428 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 14.1 t -132.67 175.73 9.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.48 -48.07 72.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.234 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.5 -30.41 71.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.93 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -62.07 -34.65 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.105 0.478 . . . . 0.0 110.044 179.704 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.648 HD11 HD11 ' A' ' 68' ' ' LEU . 92.8 mt -59.27 -30.84 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 123.435 0.694 . . . . 0.0 110.994 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -78.16 -22.91 48.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.768 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -86.06 -34.57 20.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.075 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.28 -12.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.45 -70.16 0.38 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.222 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -37.51 107.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -118.61 25.23 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.03 0.443 . . . . 0.0 111.07 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 30.7 mt -111.81 133.45 21.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.97 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.31 -53.36 6.79 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 124.078 3.186 . . . . 0.0 114.674 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.34 -36.68 93.51 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.979 -1.105 . . . . 0.0 111.846 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 26.7 m80 -69.94 -25.66 63.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.853 0.835 . . . . 0.0 108.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -88.28 -1.34 57.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.636 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.36 -42.32 7.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.299 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.471 HH22 ' HA ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -56.49 -51.79 67.17 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 68.9 mt -62.92 -45.15 99.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.7 91.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.5 -49.4 77.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 15.8 m -64.93 -32.47 74.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD11 HD11 ' A' ' 50' ' ' ILE . 82.4 mt -60.16 -37.63 80.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.294 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.63 -48.16 82.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.15 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.944 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt -60.69 -42.31 96.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.877 0.37 . . . . 0.0 111.228 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.71 -33.38 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.5 -39.38 70.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.823 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -60.44 -41.26 93.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.702 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.86 -11.63 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -17.35 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.467 0.651 . . . . 0.0 109.838 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.5 m -82.66 137.19 34.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.59 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.482 -0.771 . . . . 0.0 110.13 -179.764 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.2 ptt? -124.37 11.62 8.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.769 0.319 . . . . 0.0 110.206 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -56.4 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.43 -33.74 45.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -75.06 -45.55 40.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.09 -29.77 70.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' CD ' ' B' ' 39' ' ' GLU . 11.1 tpp180 -58.43 -12.38 3.83 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.712 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.19 68.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.521 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.479 HD13 ' OG1' ' B' ' 81' ' ' THR . 9.2 pt -128.77 15.93 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.267 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.56 93.36 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.646 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.8 17.53 18.0 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.483 -0.422 . . . . 0.0 111.188 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.404 ' CD ' ' HD3' ' B' ' 34' ' ' ARG . 23.7 pm0 -65.43 -16.77 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 110.37 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -67.31 -11.28 57.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.204 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -108.1 -4.7 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -50.42 -58.01 6.7 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -46.83 -45.9 20.48 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.29 -35.15 89.9 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.224 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 82.9 mt -71.43 -52.29 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.688 0.28 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.409 HG22 ' HB3' ' B' ' 51' ' ' ASP . 97.3 t -54.27 -43.73 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.9 -47.93 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.489 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.59 -50.86 70.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.987 0.422 . . . . 0.0 110.402 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.409 ' HA3' ' N ' ' A' ' 60' ' ' HIS . . . 137.87 47.82 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.326 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.489 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 47.4 m95 -127.67 24.14 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.674 0.274 . . . . 0.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASP . . . . . 0.409 ' HB3' HG22 ' B' ' 46' ' ' VAL . 17.9 p-10 -81.28 3.09 25.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.209 0.528 . . . . 0.0 110.228 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 23' ' ' LYS . 1.9 m-20 -90.28 105.18 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.107 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.65 -23.97 62.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.07 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.49 3.79 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.358 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.471 ' HA ' HH22 ' A' ' 63' ' ' ARG . 12.4 tp -71.25 -21.12 62.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.596 0.236 . . . . 0.0 111.21 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -69.56 -24.92 63.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.056 0.455 . . . . 0.0 110.388 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.32 90.74 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.8 tt -154.34 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.641 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -102.09 175.74 5.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.039 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.75 -26.85 66.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' B' ' 64' ' ' LEU . 49.2 mt-10 -78.26 -28.44 47.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.835 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -80.1 21.62 0.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.394 0.616 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.515 HD22 HD13 ' B' ' 78' ' ' LEU . 72.7 mt -116.22 -62.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HG2' ' B' ' 70' ' ' GLN . 0.1 OUTLIER -47.83 -28.96 2.85 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.79 177.06 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -62.33 -23.09 66.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.956 0.408 . . . . 0.0 111.132 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.62 8.9 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.246 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 -5.85 49.68 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -81.77 68.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.25 0.547 . . . . 0.0 110.19 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.566 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 93.8 mt-30 -98.2 27.48 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.223 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -116.41 131.86 23.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.3 -40.73 65.67 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.065 2.51 . . . . 0.0 113.344 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.57 81.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -64.32 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.62 -54.49 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -52.09 -42.67 63.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.643 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -43.3 96.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.515 HD13 HD22 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -59.99 -52.27 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.83 -47.42 77.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.69 -43.16 89.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.813 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.479 ' OG1' HD13 ' B' ' 36' ' ' ILE . 21.0 m -69.11 -33.15 73.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.439 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 89.9 mt -60.06 -49.82 76.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.358 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.61 -33.54 75.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.398 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.08 -24.65 65.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.508 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -105.99 -15.22 14.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.448 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.9 -1.048 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 t -56.21 -36.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.434 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -62.0 -35.57 78.93 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 111.687 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.439 ' CZ2' ' HB3' ' A' ' 67' ' ' SER . 52.4 t90 -66.12 -37.25 85.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 13.5 mt -88.07 -27.38 22.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -65.32 -46.49 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.339 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -55.63 -48.38 75.02 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 pt -79.85 2.45 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.499 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 67.19 38.52 3.35 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.843 0.715 . . . . 0.0 112.524 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.2 mmt -118.33 30.21 7.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.737 0.779 . . . . 0.0 109.165 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -57.38 -23.19 47.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.449 -1.25 . . . . 0.0 113.979 -178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -81.66 -7.51 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.721 0.691 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.508 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 73.4 m-85 -97.32 -8.62 29.24 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -56.37 -37.59 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.11 -50.74 70.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -55.89 -39.76 72.02 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.418 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 14.9 m-85 -61.5 -48.51 80.77 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.52 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.411 ' HG2' HG23 ' A' ' 37' ' ' THR . 56.3 mtt -73.0 -7.21 50.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.106 -177.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 -15.84 21.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 0.0 110.05 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.61 -4.04 45.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.21 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.39 -7.58 47.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.745 -0.741 . . . . 0.0 113.051 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -86.97 68.61 10.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -102.78 7.73 39.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.14 -179.356 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -138.86 141.11 38.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.341 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.98 -45.29 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' OE2' ' HB1' ' A' ' 38' ' ' ALA . 1.3 mp0 -58.96 -33.62 70.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.77 0.319 . . . . 0.0 111.346 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.52 -33.72 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.105 0.478 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -64.86 -43.32 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.296 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 71' ' ' LEU . 20.4 m -74.27 -14.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -81.79 -25.02 35.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.365 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.5 ptp -66.44 -178.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -131.82 176.66 8.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.86 -41.27 77.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.168 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.09 -32.67 73.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.425 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 46' ' ' THR . 2.9 m-20 -58.87 -36.13 74.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.109 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 68' ' ' LEU . 96.2 mt -57.0 -39.56 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.262 0.553 . . . . 0.0 111.004 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 7.3 mtpp -77.59 -38.45 48.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.383 0.611 . . . . 0.0 109.433 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -45.97 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.035 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 pt -71.8 6.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.47 -81.37 0.33 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.26 -0.971 . . . . 0.0 112.98 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.433 HG22 ' CD1' ' A' ' 27' ' ' TYR . 2.2 t -23.9 96.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.89 1.276 . . . . 0.0 114.236 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.08 -10.19 24.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.541 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' B' ' 47' ' ' HIS . 41.3 mt -78.66 122.01 84.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.87 -42.77 60.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.954 2.436 . . . . 0.0 112.798 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -66.77 -39.64 93.62 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.769 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -69.02 -28.91 67.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.651 ' HG2' HG22 ' A' ' 50' ' ' ILE . 35.3 mt-30 -68.2 -63.16 1.11 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.457 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -39.73 -46.58 1.92 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.148 0.905 . . . . 0.0 111.65 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -54.37 -54.19 43.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.51 -45.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.732 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.92 81.51 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.87 -46.54 87.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.115 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -65.15 -36.72 85.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.071 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD12 HD11 ' A' ' 50' ' ' ILE . 9.2 mt -60.89 -42.21 97.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.28 -40.65 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.506 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.27 -47.21 92.19 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.698 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' A' ' 43' ' ' VAL . 15.9 mt -59.67 -44.05 93.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.238 . . . . 0.0 111.309 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.44 ' O ' HG12 ' A' ' 75' ' ' VAL . 67.0 mttm -61.04 -45.23 95.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.49 -45.78 82.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.036 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -59.96 -41.82 92.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 72' ' ' LYS . 5.4 p -71.55 -18.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 111.195 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -91.68 -6.0 52.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.16 0.505 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.7 m -88.92 146.94 24.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.707 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.918 179.705 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.09 23.43 2.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.363 . . . . 0.0 110.321 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -54.58 45.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.153 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.48 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -69.5 -47.41 63.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.098 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.7 mt -71.07 -28.4 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.83 -15.13 7.38 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.261 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -31.65 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.3 pt -127.36 21.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.053 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.49 50.45 35.82 Favored Glycine 0 CA--C 1.52 0.387 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.364 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -120.36 12.56 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.906 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -53.51 -22.71 8.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -62.43 -19.7 63.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -50.28 -36.42 31.44 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.4 -49.77 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.321 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.91 -19.62 61.0 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.828 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.15 17.49 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.13 -26.12 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.245 0.545 . . . . 0.0 110.151 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 17.0 m-70 -69.28 -19.37 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.594 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.0 OUTLIER -110.06 1.71 19.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.477 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.21 42.81 95.53 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 13.9 m95 -88.2 18.72 4.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.508 . . . . 0.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.496 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.7 98.8 7.12 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.85 -21.88 61.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.785 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.74 -61.63 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.796 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -69.69 -24.87 63.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.42 -24.61 67.69 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.099 0.476 . . . . 0.0 110.183 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 m -72.8 -16.92 61.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.465 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -110.45 21.21 16.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 tt -78.46 155.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 19.2 p -104.78 172.26 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 0.0 110.424 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -82.95 13.46 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.032 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.417 ' HA ' ' OE2' ' B' ' 65' ' ' GLU . 35.9 mt-10 -126.08 34.7 4.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.527 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -132.92 -40.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.32 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.511 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 66.5 mt -52.99 -46.68 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.12 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.417 ' OE2' ' HA ' ' B' ' 62' ' ' GLU . 2.5 pm0 -40.58 -41.43 1.47 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.0 tt0 -60.01 -30.75 69.36 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.37 -3.37 58.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.6 -10.34 23.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.276 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.1 t -82.86 71.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -100.44 12.15 37.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 0.0 110.181 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 16.5 t70 -91.81 135.08 27.93 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.782 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.07 -55.17 3.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.054 2.502 . . . . 0.0 113.161 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.26 90.45 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.453 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 49.8 m170 -58.32 -43.99 88.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.314 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -66.02 -42.83 89.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.406 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.86 -50.76 70.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.503 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.22 -45.04 80.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.654 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.36 -42.18 98.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.777 0.323 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.64 -37.12 82.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -72.78 -36.32 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.248 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.9 m -64.3 -31.97 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.857 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' B' ' 86' ' ' LYS . 90.0 mt -59.14 -30.09 67.89 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.175 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -87.26 -59.29 2.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 33.6 tp -42.61 -60.87 1.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.955 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.8 m -84.91 -40.57 16.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.641 0.257 . . . . 0.0 111.125 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.535 -0.745 . . . . 0.0 110.8 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.577 0.227 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.28 -40.08 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.692 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -47.01 81.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.785 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.93 -36.78 85.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.007 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -67.58 -44.95 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.215 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.01 -22.47 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.512 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.55 -36.12 33.46 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -54.22 -32.35 55.62 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 pt -105.89 -0.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' B' ' 52' ' ' ASP . 55.1 mmtt 64.07 44.82 4.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 112.382 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.5 mmt -121.08 23.96 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -58.39 -23.18 56.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.971 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -82.93 -0.3 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.262 -0.899 . . . . 0.0 111.462 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 66.7 m-85 -97.58 2.74 50.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.306 . . . . 0.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 m -63.52 -30.91 71.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.354 0.597 . . . . 0.0 110.373 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -68.05 4.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.09 -43.65 2.53 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 30.4 m-85 -55.49 -46.82 76.86 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.56 0.695 . . . . 0.0 110.134 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.493 ' SD ' HG22 ' A' ' 37' ' ' THR . 22.9 mmt -64.34 -39.94 94.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.329 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.68 -25.15 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.723 0.297 . . . . 0.0 111.747 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -9.57 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.55 -4.05 30.97 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.255 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -89.01 75.76 7.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.413 0.625 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.493 HG22 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -99.14 3.91 46.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.831 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.08 161.24 42.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.01 -44.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.57 -40.36 87.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.903 0.32 . . . . 0.0 111.417 -178.37 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -69.39 -38.74 78.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.797 0.332 . . . . 0.0 110.19 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 38' ' ' ALA . 75.5 t -61.28 -35.57 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.22 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.47 -12.3 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.953 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -82.49 -29.22 30.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.899 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.9 ptp -58.92 167.2 1.68 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.177 0.513 . . . . 0.0 111.644 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 9.4 t -119.33 175.12 5.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.244 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.6 -44.22 85.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.67 -22.84 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.632 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 46' ' ' THR . 0.2 OUTLIER -60.91 -34.86 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.744 HD11 HD12 ' A' ' 68' ' ' LEU . 93.0 mt -56.23 -35.26 41.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.833 0.825 . . . . 0.0 111.001 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 3.1 mtpp -83.61 -38.66 21.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.518 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -62.56 -36.03 81.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.25 -0.08 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.24 -81.31 0.26 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.64 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 21.3 t -28.51 97.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.71 -4.04 34.49 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.858 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' B' ' 47' ' ' HIS . 80.1 mt -83.29 119.88 74.77 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 11.5 Cg_endo -53.28 -48.17 23.48 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.599 2.866 . . . . 0.0 114.11 -177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.586 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -65.42 -37.48 93.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.399 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.518 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 4.2 m-70 -65.94 -27.46 68.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 109.111 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 31.3 mt-30 -69.27 -64.02 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.11 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -37.93 -44.43 0.78 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.73 -46.03 90.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.979 0.419 . . . . 0.0 110.917 -178.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.2 mt -70.58 -50.49 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.11 78.41 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.78 -45.67 85.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.197 0.523 . . . . 0.0 110.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -65.7 -28.64 69.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.143 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 50' ' ' ILE . 14.0 mt -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.424 -0.172 . . . . 0.0 110.581 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.1 mt -53.95 -38.71 65.23 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.428 0.455 . . . . 0.0 110.581 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.55 -45.47 94.63 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.505 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.73 -45.32 93.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 0.0 111.046 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -58.74 -42.84 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.214 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.24 -41.1 61.85 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.865 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -65.12 -38.11 89.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.807 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.2 -16.13 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.802 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -99.62 1.36 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m -87.1 148.94 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.905 179.435 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -125.98 18.54 7.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.627 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.98 -54.11 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.081 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.81 64.67 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.062 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -71.16 -53.39 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.329 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.413 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 15.1 mt -57.6 -29.31 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.406 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.93 -24.76 25.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.395 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.25 57.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.677 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -120.41 23.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.03 34.0 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.056 -0.975 . . . . 0.0 113.644 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.88 14.14 24.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.02 0.438 . . . . 0.0 110.794 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.413 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -50.36 -31.03 13.6 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.554 179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -66.49 -8.09 24.02 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.456 ' CE1' HG22 ' B' ' 69' ' ' VAL . 0.6 OUTLIER -89.77 -22.13 22.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.779 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.509 ' O ' HG23 ' B' ' 46' ' ' VAL . 32.1 tt0 -55.99 -24.94 41.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.195 0.522 . . . . 0.0 110.983 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.54 -49.9 73.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.051 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.81 -5.13 81.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.062 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 30.4 mt -95.1 16.72 15.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.557 -0.379 . . . . 0.0 111.369 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 42' ' ' GLU . 54.3 t -96.18 -41.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.107 -0.371 . . . . 0.0 111.661 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 57' ' ' LEU . 9.6 m-70 -69.62 0.47 5.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.586 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 5.3 m-20 -112.2 1.93 16.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 88.75 22.59 38.86 Favored Glycine 0 C--N 1.319 -0.405 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.824 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.509 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 43.8 m95 -85.6 40.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.737 0.78 . . . . 0.0 109.319 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.21 -29.38 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.338 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 41.9 t0 -114.77 127.25 55.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.87 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.1 -20.99 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.532 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.56 -41.26 94.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 0.0 110.094 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -77.67 -28.04 51.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -15.83 61.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.594 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -79.35 -8.4 59.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.052 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.83 18.11 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.882 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.8 tt -75.57 150.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.317 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.5 p -112.73 173.91 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.06 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -67.44 -26.08 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.65 -55.77 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.047 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -52.91 -42.07 65.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.477 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.428 HD21 HD22 ' B' ' 78' ' ' LEU . 21.9 mt -54.46 -60.26 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.36 -37.29 2.21 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 45.8 mt-10 -59.34 -34.7 72.68 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.4 -0.68 42.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 0.0 111.53 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.64 4.38 37.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.299 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.456 HG22 ' CE1' ' B' ' 41' ' ' TYR . 2.7 t -85.81 63.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.0 110.073 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -98.79 49.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.356 0.598 . . . . 0.0 110.533 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 7.5 t70 -136.28 131.8 18.75 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.486 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.25 -53.68 5.48 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.964 2.443 . . . . 0.0 113.202 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.85 92.9 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 56.2 m170 -57.96 -45.92 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.338 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -56.5 -51.69 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.43 -43.87 79.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 2.0 tt -61.75 -45.9 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.03 -40.87 86.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.71 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.31 -38.82 88.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.425 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -65.28 -35.19 80.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 95.1 mt -55.99 -45.9 78.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.41 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -67.48 -44.72 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.98 -24.51 67.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -94.34 -49.03 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? . . . . . 0 C--O 1.25 1.118 0 O-C-N 123.981 0.801 . . . . 0.0 110.669 -179.542 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.684 0.278 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.22 -37.58 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.778 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -44.25 93.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 23.3 mt-10 -59.64 -32.32 70.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.301 0.572 . . . . 0.0 111.331 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -77.17 -29.31 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.878 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.8 -24.42 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.48 -41.86 45.69 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.631 -179.385 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -32.35 65.38 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.599 HG21 ' OG ' ' A' ' 67' ' ' SER . 11.9 pt -99.16 1.23 10.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.62 49.19 5.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.691 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mmt -131.84 42.67 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.48 -24.95 67.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -73.01 -0.91 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.532 -0.73 . . . . 0.0 112.452 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.42 -2.85 51.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.705 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.48 -40.21 96.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.466 0.651 . . . . 0.0 109.486 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -87.72 44.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.939 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -154.25 -54.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.111 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.37 -40.07 89.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.464 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.1 mtt -76.41 -15.41 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.287 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.76 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.334 0.588 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.83 0.72 54.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.89 -8.16 53.83 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.941 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -89.13 74.6 8.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.409 0.623 . . . . 0.0 109.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.02 5.75 50.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.008 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -150.16 155.43 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.565 0.221 . . . . 0.0 110.722 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.36 -42.25 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -61.74 -28.66 69.59 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.204 -178.737 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 38' ' ' ALA . 11.4 mttp -84.36 -31.63 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.429 . . . . 0.0 110.014 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.5 t -62.48 -37.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -75.31 -7.66 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.649 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 77.7 mt-30 -85.97 -25.21 26.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.302 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.1 ptp -70.62 179.99 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.061 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -140.84 178.86 7.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -52.39 -43.31 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.3 -42.66 91.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.804 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 3.5 m-20 -53.11 -47.2 68.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.942 0.401 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.866 HD11 ' CD1' ' A' ' 68' ' ' LEU . 96.1 mt -54.01 -42.23 53.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 C-N-CA 123.907 0.883 . . . . 0.0 111.014 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -79.73 -18.89 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -84.91 -40.16 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.727 0.299 . . . . 0.0 110.721 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 49' ' ' ASP . 17.9 pt -80.8 16.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 111.499 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.83 -125.25 6.24 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.829 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t 39.19 61.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.385 0.697 . . . . 0.0 111.998 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -22.32 63.03 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 57' ' ' LEU . 17.3 mt -75.88 125.95 87.61 Favored Pre-proline 0 N--CA 1.464 0.257 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.54 -42.79 51.15 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.137 2.558 . . . . 0.0 113.174 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.536 ' HA3' ' CB ' ' B' ' 48' ' ' ASN . . . -68.38 -29.16 73.01 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.757 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -69.16 -34.89 75.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -67.97 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.534 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -40.03 -44.14 1.69 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.209 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' A' ' 22' ' ' ILE . 39.4 ttm180 -59.74 -49.54 77.32 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.307 0.575 . . . . 0.0 110.125 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.09 -43.63 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.454 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.23 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.93 -45.25 78.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 122.175 0.988 . . . . 0.0 109.046 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.599 ' OG ' HG21 ' A' ' 22' ' ' ILE . 9.4 m -71.43 -17.52 62.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.482 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.866 ' CD1' HD11 ' A' ' 50' ' ' ILE . 24.8 mt -83.3 -37.05 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.69 -44.02 85.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.49 -44.23 98.27 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.0 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.85 -42.42 93.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.706 0.289 . . . . 0.0 110.686 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 75' ' ' VAL . 77.7 mttt -63.87 -47.19 81.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.277 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.6 -39.76 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.741 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.6 p -91.42 -11.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.439 . . . . 0.0 110.646 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -91.95 -24.02 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.5 m -85.34 136.77 33.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.976 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.251 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -142.46 20.37 2.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -55.16 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.66 40.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.065 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TRP . . . . . 0.474 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 41.2 t90 -78.14 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.988 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.474 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 15.5 mt -57.15 -28.83 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.554 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 3.3 ttp-105 -53.66 -15.89 1.39 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 177.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -35.91 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 109.821 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 pt -124.01 25.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.31 45.77 44.44 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.85 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -121.21 17.15 11.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.993 0.397 . . . . 0.0 111.797 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.554 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 4.8 pm0 -63.84 -18.57 64.28 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.818 0.342 . . . . 0.0 111.512 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 40' ' ' ARG . 26.6 mtm180 -71.05 -1.56 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -112.63 -11.56 13.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -48.17 -58.99 3.76 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -45.16 -39.9 6.58 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.455 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.14 92.9 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -72.89 -41.45 64.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.463 0.173 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.73 -33.39 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -63.35 -14.88 54.76 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 111.575 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' HA3' ' A' ' 59' ' ' GLY . 95.9 m-20 -113.97 11.96 17.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 10.79 80.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.253 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.56 48.57 1.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.41 0.624 . . . . 0.0 109.678 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -105.77 -12.22 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.575 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -88.65 112.66 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.64 -30.04 66.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -73.08 -52.48 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.707 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -19.61 62.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.799 0.333 . . . . 0.0 110.185 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.69 -17.66 61.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -73.1 -13.02 61.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -106.74 20.35 19.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.67 0.748 . . . . 0.0 109.668 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.7 tt -78.28 147.9 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.934 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.1 p -107.24 165.68 11.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.864 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' B' ' 75' ' ' LYS . 5.7 tt0 -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' B' ' 65' ' ' GLU . 26.5 mt-10 -75.68 -41.14 54.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.067 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.02 -47.92 67.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.88 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.464 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 91.0 mt -52.79 -54.21 37.42 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 110.044 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.476 ' HG3' ' HG2' ' B' ' 70' ' ' GLN . 2.1 tt0 -45.07 -46.78 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.355 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.84 -14.7 63.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.954 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.67 1.74 53.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 110.525 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.16 -15.0 36.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.408 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 8.5 t -85.85 74.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.23 0.538 . . . . 0.0 110.122 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.476 ' HG2' ' HG3' ' B' ' 65' ' ' GLU . 46.0 mt-30 -90.86 -16.28 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.12 129.12 93.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.711 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.38 -47.2 17.72 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.183 2.588 . . . . 0.0 113.539 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.8 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.213 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -59.03 -46.26 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' B' ' 61' ' ' GLU . 49.7 mtmt -61.34 -49.18 78.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.0 0.429 . . . . 0.0 109.976 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -55.44 -46.83 76.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.9 -45.8 93.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.466 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.452 HD13 HD22 ' B' ' 64' ' ' LEU . 0.5 OUTLIER -59.85 -46.65 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.748 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mp -57.43 -37.22 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.915 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 -36.96 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 110.45 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -35.67 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.245 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.17 -40.9 91.58 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -67.57 -45.48 75.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.215 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -51.44 -50.05 60.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.357 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -84.31 -25.69 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.385 0.143 . . . . 0.0 111.385 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.152 0 O-C-N 123.9 0.75 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.952 0.406 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 15' ' ' VAL . 2.2 t -48.92 -35.15 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.926 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.68 83.76 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.603 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.47 -38.8 88.6 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.3 0.375 . . . . 0.0 111.227 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.644 ' O ' HG12 ' A' ' 22' ' ' ILE . 15.4 t90 -67.64 -54.3 20.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 0.0 109.943 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 28' ' ' THR . 13.1 mt -58.65 -32.56 69.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.269 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -33.43 24.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -67.21 -33.33 75.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 18' ' ' TRP . 25.9 pt -89.46 8.91 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.272 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 29.13 14.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.179 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.5 mmt -103.09 21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -33.25 -58.4 0.39 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.241 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -59.12 -12.39 4.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CE1' HG22 ' A' ' 55' ' ' VAL . 11.3 m-85 -82.83 -33.17 27.22 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.395 -0.816 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.513 ' HA ' HD13 ' A' ' 19' ' ' LEU . 2.2 m -40.86 -38.79 1.0 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.32 0.581 . . . . 0.0 112.357 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.82 -52.64 64.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.018 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -72.27 -36.29 68.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.269 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.37 -62.72 1.52 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.773 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.7 mtt -57.06 -33.86 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.792 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.8 66.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.83 15.15 7.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.004 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.3 -12.46 62.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.837 -0.697 . . . . 0.0 114.416 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -88.48 60.0 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.784 0.792 . . . . 0.0 110.55 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -25.33 36.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.228 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -118.8 144.86 46.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -43.44 -50.96 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.025 -0.988 . . . . 0.0 113.633 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -51.68 -32.12 28.5 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -87.74 -32.01 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.496 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 38' ' ' ALA . 97.3 t -64.85 -36.58 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.6 -9.53 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.326 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 74.7 mt-30 -81.53 -58.17 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.5 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.524 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -46.56 116.1 1.21 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -70.42 -152.57 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.956 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -77.16 -38.01 52.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.76 -55.84 22.73 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 4.0 m-20 -50.72 -43.36 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.674 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.047 HD11 HD12 ' A' ' 68' ' ' LEU . 95.6 mt -51.66 -51.38 27.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 121.809 0.814 . . . . 0.0 110.996 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -68.6 -31.77 71.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.876 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.81 -54.33 9.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.0 pt -43.98 -27.61 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.35 39.38 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 119.919 -1.134 . . . . 0.0 113.401 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.586 HG22 ' CE1' ' A' ' 27' ' ' TYR . 67.4 t -120.26 102.5 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -106.48 -12.96 15.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.695 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' B' ' 47' ' ' HIS . 50.5 mt -78.29 125.95 84.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.07 -40.24 72.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.439 2.092 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' B' ' 48' ' ' ASN . . . -62.35 -42.89 99.69 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.797 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.534 ' CE1' HD12 ' A' ' 57' ' ' LEU . 52.2 m170 -71.34 -19.4 62.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.902 0.851 . . . . 0.0 109.564 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.489 ' HG3' HG12 ' A' ' 55' ' ' VAL . 24.7 mt-30 -75.81 -5.06 44.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.186 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -112.13 -41.14 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.203 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -56.58 -40.35 75.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.437 178.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -80.74 -49.01 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.3 -51.51 69.07 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -54.99 -54.18 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.172 0.51 . . . . 0.0 110.511 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.52 ' CB ' ' HE1' ' A' ' 18' ' ' TRP . 11.9 m -61.38 -37.91 85.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.326 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.047 HD12 HD11 ' A' ' 50' ' ' ILE . 11.7 mt -59.65 -41.03 89.63 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.435 0.159 . . . . 0.0 110.694 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 76.2 mt -56.29 -42.19 77.14 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.75 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.26 -47.41 85.15 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.391 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.59 -43.85 93.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -61.66 -36.45 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.1 -36.92 39.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.713 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -58.97 -44.22 91.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.248 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.2 p -71.88 -17.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.726 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.83 -19.16 29.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.435 179.684 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.237 0 CA-C-O 120.881 0.372 . . . . 0.0 111.851 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -66.99 -59.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.266 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.24 -23.24 61.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.146 0.498 . . . . 0.0 110.431 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.748 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.45 -21.65 64.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.132 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.09 -47.24 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.665 0.269 . . . . 0.0 111.211 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.6 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.611 HD13 ' OG1' ' B' ' 81' ' ' THR . 11.7 pt -95.63 -12.81 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 37.37 8.51 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' B' ' 41' ' ' TYR . 3.4 mp -123.06 4.9 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' B' ' 40' ' ' ARG . 10.3 pm0 -43.89 -38.95 3.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.673 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' B' ' 39' ' ' GLU . 46.7 mtm180 -65.62 -7.7 16.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.416 ' CD2' ' HG ' ' B' ' 38' ' ' LEU . 92.2 m-85 -96.5 -35.45 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 118.706 -0.664 . . . . 0.0 111.625 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -12.53 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.543 1.152 . . . . 0.0 113.436 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -31.16 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.01 -35.66 64.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.375 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 mp -91.23 16.1 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 74.2 t -101.69 -36.92 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.777 ' HA ' HD13 ' A' ' 57' ' ' LEU . 19.0 m170 -72.05 -1.64 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.213 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.408 ' CG ' ' HA3' ' A' ' 59' ' ' GLY . 2.0 m120 -116.15 -7.38 11.86 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.77 10.42 57.76 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.675 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.598 ' HB3' HD13 ' B' ' 56' ' ' LEU . 67.0 m95 -98.35 22.91 9.04 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.218 -0.578 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.52 ' HB3' ' HA ' ' B' ' 46' ' ' VAL . 9.7 p-10 -85.32 26.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.401 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -142.97 129.47 20.13 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.204 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.0 20.48 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' B' ' 52' ' ' ASP . 23.6 mm-40 -90.18 -40.36 12.25 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.335 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.7 -12.96 7.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.458 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' B' ' 50' ' ' TRP . 27.5 tp -68.82 -23.66 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.401 0.62 . . . . 0.0 109.846 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.61 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -128.85 29.72 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 109.936 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 tt -71.07 151.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.592 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -105.37 168.35 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.102 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.29 -45.66 46.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.291 0.567 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.89 16.46 0.53 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.62 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -103.26 -55.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -46.23 -32.8 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.11 -28.67 70.23 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.26 4.91 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.263 0.554 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.0 -13.01 57.59 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' B' ' 74' ' ' HIS . 2.6 t -82.33 64.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.137 0.494 . . . . 0.0 109.878 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -90.24 -28.2 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.181 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.86 136.94 87.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.964 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.7 -46.36 30.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.663 2.908 . . . . 0.0 113.713 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.89 96.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 111.228 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . 0.438 ' HB3' HG13 ' B' ' 69' ' ' VAL . 49.1 m80 -66.43 -43.69 84.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.133 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -62.63 -46.59 87.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.049 0.452 . . . . 0.0 109.928 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -61.73 -35.53 78.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.859 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -46.74 80.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.97 -37.19 86.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.93 -30.58 71.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 110.061 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.98 -39.33 79.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.727 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.611 ' OG1' HD13 ' B' ' 36' ' ' ILE . 1.3 m -64.83 -26.83 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.693 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.45 -26.91 68.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -107.07 -25.1 11.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 tp . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 120.994 0.426 . . . . 0.0 110.315 179.492 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.799 0.333 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 37' ' ' THR . 91.7 t -62.86 -35.52 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.238 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 28.8 mt-10 -63.59 -33.77 76.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.638 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -71.72 -43.86 65.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.39 -32.19 69.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.03 -30.32 66.49 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.011 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -55.95 -42.23 75.88 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.189 0.306 . . . . 0.0 111.187 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -2.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 24.5 mmtp 64.08 26.95 14.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.803 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mmt -108.95 32.61 4.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -62.45 -21.46 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.392 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -78.06 15.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.696 -0.627 . . . . 0.0 111.689 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -119.18 3.14 11.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.603 0.24 . . . . 0.0 110.885 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 32' ' ' MET . 5.4 m -62.18 -31.09 71.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.23 0.538 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.61 -45.39 89.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.397 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -71.04 -38.41 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.19 -48.15 76.94 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.344 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.457 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 36.1 mmt -64.55 -34.72 78.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.4 71.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.283 . . . . 0.0 111.47 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -9.17 49.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.406 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.58 2.79 58.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.59 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -95.86 69.99 2.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.637 0.732 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.584 ' O ' HG21 ' A' ' 15' ' ' VAL . 2.1 p -77.74 -68.65 0.6 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.862 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' H ' ' HD3' ' A' ' 41' ' ' LYS . . . -85.75 169.21 13.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 112.169 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.3 mm -50.7 -48.28 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.312 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.9 mp0 -53.7 -39.48 65.23 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.802 0.334 . . . . 0.0 111.808 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HD3' ' H ' ' A' ' 38' ' ' ALA . 2.9 mptp? -74.34 -33.89 63.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.4 . . . . 0.0 110.664 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 45' ' ' MET . 99.4 t -68.53 -41.49 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 71' ' ' LEU . 22.5 m -77.03 -7.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.32 -22.03 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.695 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 13.7 ptp -65.87 179.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.355 0.598 . . . . 0.0 111.405 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -136.25 178.03 7.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.611 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -56.53 -44.17 80.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.564 0.221 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.08 -37.94 75.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 53' ' ' ILE . 4.3 m-20 -60.33 -41.71 94.11 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.695 ' CD1' ' SD ' ' A' ' 45' ' ' MET . 47.8 mm -60.74 -25.99 36.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.295 0.569 . . . . 0.0 110.993 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -91.02 -15.41 29.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -99.14 -23.42 15.25 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.523 0.202 . . . . 0.0 111.449 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 49' ' ' ASP . 36.8 pt -72.32 9.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.815 0.341 . . . . 0.0 111.918 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.74 0.41 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.702 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 60' ' ' HIS . 38.6 t -39.03 108.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -108.63 -8.06 15.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.109 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.549 HD13 ' O ' ' B' ' 47' ' ' HIS . 25.4 mt -79.36 128.25 76.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.11 -47.93 18.18 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 113.243 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.78 -39.62 98.19 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.713 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.424 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -66.36 -32.3 73.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.493 0.664 . . . . 0.0 109.373 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.602 ' HG2' HG22 ' A' ' 50' ' ' ILE . 34.2 mt-30 -72.0 -58.43 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.061 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -38.8 -47.53 1.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.398 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -55.37 35.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.272 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG21 HD12 ' A' ' 50' ' ' ILE . 72.7 mt -56.6 -44.35 80.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.609 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.71 -51.04 71.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -67.53 -26.94 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.786 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 50' ' ' ILE . 11.5 mt -65.77 -34.05 77.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.2 -41.39 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.66 -41.61 97.66 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.859 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.538 ' HB3' HG12 ' A' ' 43' ' ' VAL . 6.8 mt -60.31 -43.78 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.696 0.284 . . . . 0.0 111.451 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' O ' HG12 ' A' ' 75' ' ' VAL . 85.4 mttt -68.25 -40.8 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.432 . . . . 0.0 110.112 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -58.75 -45.21 90.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.623 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.2 p -71.27 -10.38 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -100.49 -6.93 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.956 0.407 . . . . 0.0 110.337 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.83 179.288 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.766 0.317 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -53.28 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 -36.22 61.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.738 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.53 -51.03 60.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.517 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -83.56 31.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.612 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -111.28 2.29 17.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.51 -15.59 28.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.104 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.31 15.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.86 52.96 24.01 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.287 -0.869 . . . . 0.0 113.368 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.88 16.26 10.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.051 0.425 . . . . 0.0 111.115 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -57.44 -20.21 28.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.725 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.12 -14.03 62.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.982 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -98.21 -17.87 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -41.56 -65.73 0.41 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -42.56 -39.27 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.41 -39.42 87.36 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.13 -55.92 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 64.0 t -46.1 -49.23 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.549 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.09 -47.12 68.79 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 120.615 0.245 . . . . 0.0 111.309 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.615 ' ND2' ' HA ' ' B' ' 67' ' ' ALA . 23.3 m-80 -62.0 -80.73 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.93 46.33 0.21 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.896 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -135.47 63.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.03 0.443 . . . . 0.0 110.343 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.91 -4.9 39.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.205 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -128.89 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.436 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.31 -18.71 29.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.93 -20.95 60.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -101.24 -15.7 17.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.15 -20.03 66.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -10.66 60.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.72 22.14 16.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.152 0.501 . . . . 0.0 110.195 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 tt -79.61 152.23 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.416 ' H ' ' HB2' ' B' ' 63' ' ' ASP . 79.7 p -121.97 172.8 7.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.95 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.68 -32.47 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.33 -47.76 69.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.59 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.416 ' HB2' ' H ' ' B' ' 60' ' ' THR . 6.3 m-20 -53.29 -49.0 67.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 15.7 mt -54.29 -54.39 40.91 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.03 -48.62 11.66 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.385 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.12 -25.21 66.88 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . 0.615 ' HA ' ' ND2' ' B' ' 48' ' ' ASN . . . -84.42 -6.93 59.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.72 -15.7 21.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.578 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.9 t -86.47 81.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.135 0.493 . . . . 0.0 110.009 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.44 -16.85 20.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.7 126.89 93.19 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.06 -49.87 15.6 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.31 2.673 . . . . 0.0 113.261 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.38 77.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.474 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -60.88 -41.88 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -62.95 -54.41 38.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.051 0.453 . . . . 0.0 110.035 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -55.28 -45.33 76.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.881 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.82 -48.89 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.5 -44.19 96.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.647 0.26 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.04 -44.71 79.08 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.06 -42.67 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.455 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.95 -31.05 71.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.017 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.49 -45.58 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.82 -47.68 68.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.081 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.782 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.25 -38.76 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.814 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.48 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.601 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 54.1 mt-10 -61.67 -32.16 72.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.468 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -74.09 -37.89 64.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -80.05 -31.86 39.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.083 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 12.6 pt-20 -75.34 -37.23 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.01 -0.431 . . . . 0.0 111.878 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -56.45 -37.95 70.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 67' ' ' SER . 12.4 pt -92.66 -0.36 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp 66.56 44.99 2.16 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.353 0.597 . . . . 0.0 112.133 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mmt -127.71 26.81 5.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.77 -17.91 63.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.662 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -85.16 -3.95 58.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 118.997 0.817 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.91 -4.68 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.101 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -54.24 -43.3 70.77 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.713 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -55.52 -44.54 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.533 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -44.57 81.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 110.408 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -56.49 -51.06 69.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.665 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.9 mtt -66.46 -31.18 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.127 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.09 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.092 0.473 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.4 -15.48 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.876 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.8 -5.7 14.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.304 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -89.97 71.75 7.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.085 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.13 0.92 56.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.023 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.451 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -151.12 157.89 43.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.07 -41.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 mp0 -57.45 -34.34 68.89 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.768 0.318 . . . . 0.0 111.096 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -80.3 -35.32 35.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.918 0.39 . . . . 0.0 110.047 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.3 t -60.61 -41.03 86.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.76 -9.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -84.35 -24.2 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.077 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 13.7 ptp -63.77 176.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.14 0.495 . . . . 0.0 111.299 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -129.15 169.16 15.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.74 -47.59 79.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.805 0.336 . . . . 0.0 111.515 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.83 -30.79 71.76 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.83 -29.24 68.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.634 0.254 . . . . 0.0 111.422 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.023 HD11 ' CD1' ' A' ' 68' ' ' LEU . 92.6 mt -61.75 -28.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.828 0.823 . . . . 0.0 110.966 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -89.88 -7.87 53.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.283 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -91.97 -38.33 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -73.92 23.1 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.82 -88.92 0.44 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.378 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -11.52 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.67 1.588 . . . . 0.0 114.798 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -92.29 -17.04 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.677 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 57' ' ' LEU . 21.1 mt -76.95 123.7 87.41 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.347 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.32 -41.39 73.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.395 2.73 . . . . 0.0 113.549 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.69 -33.04 70.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.894 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -67.4 -32.93 74.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.59 -62.42 1.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.563 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.75 -50.89 0.86 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.198 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.409 HH22 ' C ' ' B' ' 49' ' ' GLY . 37.0 ttm180 -58.76 -52.72 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.099 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.8 mt -57.7 -44.43 85.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.233 0.333 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.48 87.79 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.319 0.581 . . . . 0.0 110.616 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.92 -44.7 96.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.739 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 22' ' ' ILE . 3.7 m -67.18 -27.98 67.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.651 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.023 ' CD1' HD11 ' A' ' 50' ' ' ILE . 16.0 mt -69.72 -40.08 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.126 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.89 -36.79 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.37 86.46 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.914 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.32 -42.05 94.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.563 0.221 . . . . 0.0 111.478 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -64.9 -39.88 94.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.51 -41.66 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.26 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -65.71 -29.89 70.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.582 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.91 -12.21 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.678 . . . . 0.0 109.757 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -92.28 -8.96 43.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.955 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.093 179.702 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' B' ' 34' ' ' ARG . 0.7 OUTLIER -59.3 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.21 -27.83 69.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.208 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -73.0 -41.37 64.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.752 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' B' ' 42' ' ' GLU . 38.0 mt -74.7 -21.92 59.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.643 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.519 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -57.96 -19.97 34.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -38.94 75.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 pt -119.54 21.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.81 45.94 31.53 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.513 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.37 16.61 13.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.83 0.315 . . . . 0.0 111.254 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.519 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 6.8 pm0 -51.1 -28.02 9.64 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 -61.84 -19.15 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.724 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.87 -24.09 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.473 ' O ' HG23 ' B' ' 46' ' ' VAL . 53.5 tt0 -51.26 -35.16 35.94 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.88 0.371 . . . . 0.0 111.262 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.24 -50.53 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.375 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -28.15 65.06 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.684 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.21 -53.55 29.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.773 0.286 . . . . 0.0 110.45 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 42' ' ' GLU . 84.3 t -46.0 -38.3 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -17.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 111.48 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.514 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 4.9 m-20 -110.82 9.58 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.409 ' C ' HH22 ' A' ' 63' ' ' ARG . . . 74.4 19.0 79.95 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.755 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -92.28 39.85 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.422 ' HB3' HG22 ' B' ' 46' ' ' VAL . 12.5 p-10 -98.64 6.56 46.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -108.72 120.27 41.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.175 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.48 -26.78 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.868 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.89 -52.02 65.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.16 -25.54 47.32 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -65.94 -20.4 66.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 110.297 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -66.64 -14.77 62.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.112 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -128.89 38.21 3.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.339 0.59 . . . . 0.0 110.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.6 tt -84.51 141.21 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.466 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -94.93 164.12 13.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.79 -36.99 86.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.948 0.404 . . . . 0.0 110.333 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.78 -49.9 75.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.32 -41.4 84.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 33.6 mt -54.24 -58.0 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.601 0.238 . . . . 0.0 110.747 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -45.6 -40.47 8.91 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.833 178.25 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 3.5 tm-20 -64.48 -28.65 69.81 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.355 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.81 2.06 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.415 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 -3.96 31.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.997 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.7 t -84.34 61.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.443 0.64 . . . . 0.0 110.053 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.52 46.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.416 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.05 131.02 19.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.8 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.59 -55.77 3.03 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.221 2.614 . . . . 0.0 113.239 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.4 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.676 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -57.25 -47.69 80.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -63.92 -46.43 84.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.39 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 76' ' ' ARG . 12.5 tpt180 -58.22 -52.4 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.215 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.18 -42.47 98.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.964 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.44 -45.05 92.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.209 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.08 -39.38 81.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.77 -36.15 75.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -66.02 -34.13 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.654 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -83.07 -49.71 9.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 tp . . . . . 0 C--O 1.233 0.234 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 t -53.7 -44.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.025 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.208 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.51 -37.7 85.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.334 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.423 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.5 t90 -66.04 -41.36 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.5 -20.58 62.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.787 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -81.17 -47.49 13.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.602 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -19.4 15.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 18' ' ' TRP . 2.7 pt -113.3 3.64 8.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 111.452 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp 57.25 46.56 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.36 25.87 9.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.72 -9.99 58.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.018 -1.447 . . . . 0.0 111.572 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -83.81 8.21 15.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 109.795 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -119.54 5.24 11.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.624 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -60.82 -38.92 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.557 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 47.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.729 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -150.94 -51.79 0.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.44 -40.12 77.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.751 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' HG22 ' A' ' 37' ' ' THR . 26.0 mmt -62.21 -40.93 97.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.697 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.13 -30.53 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.743 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.84 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.26 -5.43 52.46 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.098 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -89.38 78.96 7.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.196 0.522 . . . . 0.0 109.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.474 HG22 ' SD ' ' A' ' 32' ' ' MET . 3.1 p -103.32 2.97 34.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.505 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -145.45 149.49 34.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.62 -39.98 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 112.254 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -38.83 71.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.566 0.222 . . . . 0.0 111.42 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 1.1 mptp? -79.04 -36.12 41.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.38 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.539 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -58.33 -42.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.289 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.34 -9.0 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.703 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -84.13 -25.81 29.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.281 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 16.8 ptp -64.09 177.87 0.74 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.568 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 174.6 10.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -54.98 -46.65 75.13 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.86 -31.54 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -34.35 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.946 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 68' ' ' LEU . 92.7 mt -58.48 -33.27 47.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.747 0.784 . . . . 0.0 110.984 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -79.0 -16.52 56.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.259 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -92.6 -30.48 15.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 0.0 111.261 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 pt -72.97 -0.29 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.0 2.46 23.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.683 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.12 82.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 117.821 0.81 . . . . 0.0 110.394 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -17.12 57.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.683 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 47' ' ' HIS . 71.6 mt -78.71 118.03 69.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.672 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -60.49 -36.0 88.11 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.202 2.601 . . . . 0.0 113.962 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.55 -30.85 70.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.284 -0.96 . . . . 0.0 110.767 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -74.15 -32.71 63.24 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.67 -71.17 0.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.703 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -40.4 -41.44 1.39 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.032 0.833 . . . . 0.0 112.475 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -52.29 64.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.01 -46.95 92.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.495 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.54 -49.68 61.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.752 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.759 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.5 m -69.5 -28.51 66.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.607 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' CD1' HD11 ' A' ' 50' ' ' ILE . 75.9 mt -69.25 -30.33 68.44 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.093 0.473 . . . . 0.0 110.534 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.65 -45.62 93.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.173 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.66 92.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.893 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.72 -48.83 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -60.45 -44.37 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.937 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -35.85 78.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.709 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -66.81 -42.17 86.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.25 -13.31 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.247 0.546 . . . . 0.0 110.349 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -99.38 -4.03 32.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.418 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 m . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.768 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptt? . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.536 0.208 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -57.54 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 110.336 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.789 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -69.05 -35.42 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.111 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' B' ' 42' ' ' GLU . 35.6 mt -84.27 -16.96 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.652 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -65.22 -12.55 52.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.358 0.599 . . . . 0.0 109.944 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.63 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.088 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -128.17 19.73 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.074 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.57 42.59 58.17 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 113.397 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.37 17.44 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.949 0.374 . . . . 0.0 111.456 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 pm0 -54.22 -20.32 6.73 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.505 ' CE2' HG22 ' B' ' 69' ' ' VAL . 2.6 m-85 -91.81 -26.01 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.745 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.4 ' HB2' HD12 ' B' ' 33' ' ' LEU . 51.3 tt0 -42.9 -63.84 0.73 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.87 -40.79 1.45 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.768 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.56 -34.24 63.35 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.481 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 9.8 mt -80.61 24.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.646 0.378 . . . . 0.0 111.662 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.55 -21.01 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.296 0.569 . . . . 0.0 110.397 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.426 ' HA ' HD13 ' A' ' 57' ' ' LEU . 29.6 m-70 -85.56 0.5 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.757 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.546 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 1.7 m120 -118.55 0.44 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.21 29.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.128 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 66.8 m95 -100.2 23.17 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.621 0.724 . . . . 0.0 109.309 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.5 27.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.546 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' B' ' 50' ' ' TRP . 31.4 t70 -147.41 121.83 9.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.295 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.71 -33.41 75.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.428 ' HB2' ' OD2' ' B' ' 52' ' ' ASP . 48.9 mt-10 -61.61 -46.51 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.623 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.79 -40.16 63.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.43 -20.78 63.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -63.08 -22.66 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.97 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.78 24.89 11.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.345 . . . . 0.0 111.351 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.01 138.94 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 50.6 p -100.04 176.62 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.41 -23.25 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.32 -51.97 26.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 28.9 m-20 -53.02 -47.2 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.324 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.544 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 76.7 mt -47.03 -62.61 1.33 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -35.08 -36.73 0.06 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 7.7 mt-10 -53.25 -41.73 65.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.37 11.74 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.07 3.61 61.77 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.184 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 3.3 t -82.84 65.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.226 0.536 . . . . 0.0 109.992 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -100.01 -2.54 34.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.78 131.85 69.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.223 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.7 -49.53 14.43 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.051 2.501 . . . . 0.0 112.936 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.34 85.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -56.7 -46.48 81.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -62.48 -51.31 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 0.0 110.571 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' B' ' 76' ' ' ARG . 41.1 tpt85 -56.29 -48.67 76.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.629 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.72 -44.3 94.0 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -45.49 90.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.578 0.228 . . . . 0.0 110.65 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.78 -33.88 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -36.76 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.273 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -62.03 -32.78 73.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.715 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.368 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -79.76 -55.69 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.192 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 120.671 0.272 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.99 -41.78 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -51.81 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.6 -38.47 78.03 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 111.211 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -72.08 -47.9 48.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.377 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.87 -26.45 62.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.12 -35.99 61.66 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.323 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -32.99 69.62 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.36 -1.54 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 67.73 33.84 4.71 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.574 0.546 . . . . 0.0 111.937 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.1 mmt -117.31 24.42 11.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.24 -19.93 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.077 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -78.13 2.76 16.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.534 -0.729 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -106.44 -2.97 21.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.668 0.27 . . . . 0.0 111.328 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -57.58 -29.8 64.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 29' ' ' GLU . 15.8 mt-10 -57.79 -47.9 81.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.259 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -78.23 -36.08 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.896 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.2 -49.24 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.99 -30.75 62.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.15 63.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.99 0.424 . . . . 0.0 110.723 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.71 -5.72 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.377 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.62 -0.86 52.77 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.217 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -94.14 75.11 4.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.399 0.619 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -84.82 -72.39 0.48 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.47 152.36 45.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -56.93 -35.75 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.85 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -28.83 68.19 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -85.09 -36.68 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 45' ' ' MET . 68.1 t -62.67 -40.4 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG12 ' HB3' ' A' ' 71' ' ' LEU . 18.3 m -73.13 -12.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 11.0 mm-40 -85.9 -18.63 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.3 ptp -66.75 -176.77 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -144.26 -175.4 4.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -56.76 -46.19 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.69 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.42 -43.31 75.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.634 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.76 -39.28 77.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.265 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.908 HD11 HD12 ' A' ' 68' ' ' LEU . 93.1 mt -56.15 -33.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 123.108 0.563 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -87.12 -38.27 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.409 0.623 . . . . 0.0 109.971 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -62.7 -34.68 77.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 pt -76.11 2.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.98 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.09 -75.22 0.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.456 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 t -28.37 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.26 -1.72 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.375 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 32.8 mt -90.02 126.96 55.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.244 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.76 -50.68 9.81 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.57 2.846 . . . . 0.0 114.346 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.73 -38.42 96.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.934 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 19.2 m80 -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 50' ' ' ILE . 30.9 mt-30 -74.38 -59.18 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.055 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -33.92 -52.13 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.491 1.119 . . . . 0.0 112.553 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -56.01 24.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.116 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.7 -44.46 93.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.92 79.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.85 -49.44 76.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 110.289 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -65.16 -29.63 70.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.979 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.908 HD12 HD11 ' A' ' 50' ' ' ILE . 8.8 mt -66.0 -38.1 87.62 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.709 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.62 -37.45 78.66 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.14 -42.29 76.93 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.738 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.61 ' HB3' HG12 ' A' ' 43' ' ' VAL . 9.3 mt -62.29 -43.78 98.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.301 . . . . 0.0 111.042 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 75' ' ' VAL . 66.7 mttm -62.94 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -38.93 79.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 110.676 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -63.63 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.65 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.6 p -71.89 -11.77 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.141 0.495 . . . . 0.0 111.048 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.2 -5.26 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.469 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.431 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -53.16 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.983 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.15 28.01 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -75.33 -48.58 22.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.99 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.15 -35.54 75.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.305 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.407 ' HD2' ' OE2' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -51.68 -7.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 177.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.65 -22.21 51.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.472 HD13 ' OG1' ' B' ' 81' ' ' THR . 8.1 pt -132.7 22.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.642 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.08 49.22 37.22 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.46 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.13 17.79 10.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' B' ' 34' ' ' ARG . 12.4 pm0 -57.48 -21.11 35.3 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.74 -12.64 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.559 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.502 ' CE1' HG22 ' B' ' 69' ' ' VAL . 2.6 m-85 -95.16 -18.0 21.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -48.74 -59.96 3.12 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -45.16 -42.56 9.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.282 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.71 -42.81 53.24 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.241 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 73.5 mt -61.09 -52.52 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.047 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 99.2 t -51.82 -37.49 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -59.84 -55.63 31.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.684 0.278 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -55.33 -67.54 0.27 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.128 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 163.51 36.4 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.464 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 10.8 m95 -121.82 58.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -94.08 28.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.931 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -145.93 -173.13 4.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.007 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.93 -22.04 2.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.864 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.79 -58.5 7.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.155 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.42 0.02 56.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.465 . . . . 0.0 109.929 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 tp -75.97 -15.21 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.638 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -30.4 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.92 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -98.27 75.69 2.28 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.32 148.72 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.312 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -110.17 172.95 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -64.49 -31.98 73.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.176 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.89 -47.32 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.754 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -55.67 -49.08 73.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.093 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.404 HD22 HD13 ' B' ' 78' ' ' LEU . 80.6 mt -55.23 -57.99 9.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.453 0.168 . . . . 0.0 110.957 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -36.64 7.47 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.006 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -60.17 -27.47 67.15 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.55 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.27 1.22 57.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.916 0.388 . . . . 0.0 111.191 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.22 12.36 29.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.795 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' B' ' 41' ' ' TYR . 4.6 t -93.12 66.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 110.184 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -87.31 -9.2 55.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.94 131.98 78.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.28 -43.72 13.78 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.882 2.388 . . . . 0.0 113.119 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -65.04 -42.45 94.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.9 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -62.1 -41.79 98.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -64.87 -54.29 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.13 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -53.77 -46.77 71.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.882 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -63.41 -44.51 94.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.132 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.404 HD13 HD22 ' B' ' 64' ' ' LEU . 0.5 OUTLIER -57.49 -50.0 74.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.693 0.283 . . . . 0.0 110.496 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 mp -55.46 -43.46 75.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.177 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.83 -39.84 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.472 ' OG1' HD13 ' B' ' 36' ' ' ILE . 30.5 m -61.62 -38.64 88.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.383 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.58 -43.79 93.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.01 -46.59 80.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.132 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.751 179.283 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.74 0.305 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -61.35 -33.25 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.516 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -51.16 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -63.99 -32.73 74.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.608 0.242 . . . . 0.0 111.251 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -64.5 -47.16 79.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.217 0.532 . . . . 0.0 109.705 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.37 -8.32 55.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.21 -41.57 15.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.754 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.4 p -78.98 52.57 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -178.27 -15.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.504 1.122 . . . . 0.0 108.58 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HE3' ' OD2' ' B' ' 52' ' ' ASP . 71.1 mmtt 65.97 40.74 3.97 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.1 mmt -113.57 24.65 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.455 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -26.49 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.706 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -80.91 -8.38 59.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.217 0.917 . . . . 0.0 111.621 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -86.86 -3.52 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.766 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -63.13 -38.87 92.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.324 0.583 . . . . 0.0 109.709 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.33 49.67 1.61 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.413 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.03 -51.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.313 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.83 -39.89 94.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 41.1 mtt -75.62 -9.05 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.436 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.05 -10.15 31.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.07 -3.97 40.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.697 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.62 -7.33 29.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.959 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -88.35 80.08 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 4.96 41.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.168 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.44 159.32 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 111.123 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.51 -41.64 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -32.04 72.74 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.168 -0.333 . . . . 0.0 111.211 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -80.32 -30.96 38.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.999 0.428 . . . . 0.0 110.1 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 38' ' ' ALA . 64.4 t -63.35 -38.44 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.805 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.04 -7.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.334 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.75 -28.88 36.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.0 ptp -68.64 -176.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -135.13 -177.56 4.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -57.86 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.12 -26.62 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' HB2' ' H ' ' A' ' 46' ' ' THR . 1.4 t70 -59.04 -39.77 83.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.092 0.472 . . . . 0.0 110.663 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.749 HD11 HD12 ' A' ' 68' ' ' LEU . 92.9 mt -59.03 -33.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 123.24 0.616 . . . . 0.0 111.024 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -78.89 -13.57 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.542 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -90.94 -39.06 12.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.953 0.406 . . . . 0.0 110.205 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 pt -78.47 16.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.863 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.22 -98.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.508 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -11.0 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.506 1.522 . . . . 0.0 114.725 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.05 -17.18 25.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 110.988 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' B' ' 47' ' ' HIS . 57.9 mt -82.09 125.48 77.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -60.49 -37.57 79.79 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.953 2.436 . . . . 0.0 112.746 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -68.91 -38.01 84.35 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -66.81 -29.81 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -67.12 -64.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.646 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -40.15 -45.06 1.94 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.15 0.906 . . . . 0.0 112.649 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.86 -53.68 55.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.413 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.96 -46.49 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.033 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.72 84.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.37 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -57.65 -48.34 79.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -77.45 -7.2 55.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.791 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.749 HD12 HD11 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -89.29 -40.84 12.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.032 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.77 -36.08 78.07 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.94 93.45 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.714 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.43 -44.09 80.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.733 0.267 . . . . 0.0 110.671 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -61.76 -44.23 97.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.2 -41.93 85.0 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.613 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -62.46 -39.7 94.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.754 0.312 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.74 -13.86 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.431 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -10.56 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.083 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.071 179.302 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -53.0 62.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.418 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.55 67.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -68.44 -55.99 9.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.512 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.429 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 22.8 mt -61.38 -28.25 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.554 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 3.4 tpp180 -55.04 -21.92 14.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.626 0.371 . . . . 0.0 111.463 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.54 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.235 0.541 . . . . 0.0 110.372 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 pt -120.07 21.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.451 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.44 38.83 28.24 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.981 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 41' ' ' TYR . 0.9 OUTLIER -115.52 16.57 16.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.255 0.527 . . . . 0.0 110.587 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.429 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -54.94 -27.63 44.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.593 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -70.31 -3.13 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.853 0.359 . . . . 0.0 111.841 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' B' ' 38' ' ' LEU . 3.4 m-85 -91.66 -19.65 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.347 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 46' ' ' VAL . 73.0 tt0 -53.9 -27.54 31.05 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.714 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.55 -47.1 85.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.045 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.31 -31.28 59.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.3 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.54 19.3 0.37 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 42' ' ' GLU . 2.9 t -101.9 -24.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.496 0.665 . . . . 0.0 110.253 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 57' ' ' LEU . 25.1 m80 -75.7 -16.52 60.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.365 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.597 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.1 OUTLIER -101.15 -8.06 22.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.25 23.22 45.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.738 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.597 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 69.1 m95 -85.16 42.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.222 0.534 . . . . 0.0 110.08 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -7.98 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.64 0.734 . . . . 0.0 109.69 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.474 ' OD2' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -110.99 147.55 34.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.99 -21.21 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.51 -57.32 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.556 0.217 . . . . 0.0 111.539 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -71.56 -24.61 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.29 -19.52 65.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.217 0.532 . . . . 0.0 110.076 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.5 m -72.78 -3.33 24.68 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.091 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.42 21.73 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.335 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.4 tt -71.31 130.65 35.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.3 p -96.63 173.16 7.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.47 -28.47 69.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' B' ' 65' ' ' GLU . 22.3 mm-40 -68.55 -49.19 61.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.476 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -54.99 -45.25 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.452 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 mt -56.48 -62.2 1.88 Allowed 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 1.7 pp20? -46.16 -36.93 6.4 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.21 -33.97 71.61 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 111.508 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.57 4.81 34.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.1 -14.34 51.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.497 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.57 75.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.0 109.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.4 -4.44 26.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 11.2 t70 -73.29 131.14 83.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.78 -53.21 6.42 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.46 2.774 . . . . 0.0 113.825 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.39 88.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.572 0.225 . . . . 0.0 111.58 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 32.9 m170 -60.39 -41.84 94.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.3 -51.07 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.237 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -55.83 -46.38 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.55 -43.71 96.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.029 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -44.29 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -56.79 -37.4 71.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.963 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.71 -35.47 65.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.7 m -62.04 -32.66 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.575 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.6 -38.13 63.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.049 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -84.04 -54.91 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 tp . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.111 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.75 0.31 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 t -52.18 -41.88 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.768 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.23 75.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.946 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 21.0 mt-10 -62.34 -43.81 97.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -66.29 -44.29 83.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 0.0 109.579 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.34 -28.51 69.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.825 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 1.6 pp20? -84.72 -38.72 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -53.35 -35.28 60.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.947 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.404 ' HA ' ' CE1' ' B' ' 55' ' ' PHE . 25.3 pt -93.59 3.91 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 59.98 40.25 19.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.9 0.381 . . . . 0.0 111.5 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.43 ' SD ' ' HE2' ' A' ' 27' ' ' TYR . 16.1 mmt -128.73 31.44 4.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.87 -12.32 61.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.156 -1.383 . . . . 0.0 113.474 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -80.34 1.2 29.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.656 -0.652 . . . . 0.0 111.451 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' HE2' ' SD ' ' A' ' 24' ' ' MET . 77.9 m-85 -106.46 2.92 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.206 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -59.78 -31.8 70.01 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.596 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.74 -44.75 93.65 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.765 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -73.0 -39.01 66.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.539 0.685 . . . . 0.0 111.21 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.528 ' SD ' HG22 ' A' ' 37' ' ' THR . 18.3 mmt -68.28 -30.93 70.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.971 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.12 -20.09 42.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.558 0.218 . . . . 0.0 111.424 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.32 0.49 48.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.47 -10.05 64.88 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.854 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -88.55 75.44 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.493 0.663 . . . . 0.0 109.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.528 HG22 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -95.92 4.49 52.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.229 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -155.01 158.38 39.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.575 0.226 . . . . 0.0 110.545 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.22 -42.56 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.4 mp0 -56.02 -38.96 71.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.882 0.373 . . . . 0.0 111.316 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.64 -37.77 35.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.154 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 45' ' ' MET . 73.7 t -59.78 -43.52 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.242 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 34.7 m -75.17 -7.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 24.0 mt-30 -87.84 -22.52 24.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.617 0.246 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.0 ptp -66.92 177.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.364 0.602 . . . . 0.0 111.5 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 48' ' ' ASP . 12.1 t -133.96 178.7 6.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.408 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -55.41 -38.5 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 111.628 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' H ' HG23 ' A' ' 46' ' ' THR . 12.2 t70 -59.2 -39.45 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -58.71 -37.49 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.936 HD11 HD11 ' A' ' 68' ' ' LEU . 41.8 mm -58.13 -30.98 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 121.164 0.507 . . . . 0.0 111.016 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -89.82 -20.42 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.486 . . . . 0.0 110.731 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -82.25 -34.52 28.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.7 pt -73.21 -3.26 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.145 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.38 -82.42 0.31 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.019 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -19.37 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.05 1.34 . . . . 0.0 114.366 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -6.77 30.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.826 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.473 HD23 ' HD2' ' A' ' 58' ' ' PRO . 3.5 mt -75.66 117.35 62.92 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' HD23 ' A' ' 57' ' ' LEU . 18.6 Cg_endo -58.55 -44.65 35.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.54 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -59.44 -43.42 97.47 Favored Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.133 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.8 -23.24 66.66 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 37.8 mt-30 -79.29 -11.44 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.846 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -91.77 -48.14 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.569 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -36.15 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.512 HG21 HD12 ' A' ' 50' ' ' ILE . 87.1 mt -71.21 -43.94 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.065 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -61.0 -37.89 84.12 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.268 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -56.99 11.75 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.678 0.752 . . . . 0.0 110.684 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -66.05 -39.65 90.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.405 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.936 HD11 HD11 ' A' ' 50' ' ' ILE . 14.3 mt -53.5 -45.54 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.248 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.0 mt -58.86 -42.31 89.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.202 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.13 -44.17 96.12 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.805 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.45 -40.87 83.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 43' ' ' VAL . 97.0 mttt -66.74 -42.07 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.08 -36.47 83.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.48 -41.14 98.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.836 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.2 p -74.01 -16.81 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.308 0.575 . . . . 0.0 110.623 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.94 -16.95 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.603 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.529 ' SD ' HD22 ' B' ' 56' ' ' LEU . 24.4 ptt? . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.977 0.417 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -56.61 19.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.1 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -74.65 -30.4 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.97 -23.25 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.654 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.511 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -52.55 -22.63 5.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 178.005 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.28 -37.55 72.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.757 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 pt -122.91 22.36 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.71 45.18 39.26 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.486 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.0 13.0 13.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.835 0.318 . . . . 0.0 111.348 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.511 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 11.4 pm0 -54.33 -25.51 24.38 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -68.59 -5.38 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -100.42 -19.62 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -45.47 -62.31 1.33 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.652 0.263 . . . . 0.0 111.705 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -43.58 -45.29 6.62 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.194 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.98 -31.36 75.15 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.88 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 2.8 mt -75.98 -58.37 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.504 0.192 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' B' ' 51' ' ' ASP . 41.9 t -29.83 -51.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -52.45 -33.29 43.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.54 ' HA ' ' C ' ' A' ' 59' ' ' GLY . 2.3 m-20 -94.97 16.79 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.94 46.18 4.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.111 -1.043 . . . . 0.0 112.418 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.409 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 79.2 m95 -129.74 31.39 4.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.6 0.714 . . . . 0.0 109.099 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.445 ' HB3' HG13 ' B' ' 46' ' ' VAL . 15.2 p-10 -87.83 -6.27 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.424 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -113.7 128.22 56.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.942 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.68 -32.37 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.282 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -19.1 62.11 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.199 0.523 . . . . 0.0 110.725 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 22' ' ' ILE . 19.5 t80 -93.65 -34.57 13.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.794 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.529 HD22 ' SD ' ' B' ' 29' ' ' MET . 5.8 tp -67.9 -23.91 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.521 ' HA ' HD22 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -70.19 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.347 . . . . 0.0 111.312 -179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -108.3 17.2 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 110.62 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -69.62 148.55 11.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.065 0.46 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -102.6 170.22 8.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.07 -6.73 47.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.532 . . . . 0.0 109.957 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -100.88 -47.82 4.67 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.653 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 5.5 m-20 -56.48 -28.08 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.437 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.419 HD21 HD22 ' B' ' 78' ' ' LEU . 11.6 mt -55.03 -50.88 67.96 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.406 -0.184 . . . . 0.0 110.929 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.15 -36.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.739 0.649 . . . . 0.0 111.934 177.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.653 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 0.2 OUTLIER -49.91 -36.89 29.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.68 9.37 30.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.26 -3.31 63.95 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.86 77.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.143 0.497 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.444 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 83.0 mt-30 -104.14 15.89 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -96.33 132.28 26.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.49 -48.66 14.47 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.095 2.53 . . . . 0.0 113.443 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.99 83.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.577 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -59.62 -45.95 90.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.647 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.56 -51.36 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 0.0 110.549 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -55.56 -46.07 77.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.285 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.83 -41.93 98.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.391 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.419 HD22 HD21 ' B' ' 64' ' ' LEU . 2.4 tt -61.44 -48.95 78.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.664 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.54 -40.85 79.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.372 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.38 -38.73 85.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 0.0 110.357 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -66.44 -35.41 80.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.187 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 57' ' ' SER . 32.5 mt -54.01 -40.65 67.17 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 120.882 0.373 . . . . 0.0 111.014 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -76.8 -46.68 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.776 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.278 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.31 -47.38 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -45.2 87.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.914 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.16 -37.21 84.35 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.047 0.451 . . . . 0.0 110.288 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 67' ' ' SER . 63.1 t90 -68.05 -46.26 71.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.823 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.94 -37.13 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.844 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.82 -40.6 97.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.51 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 pt -90.56 -0.99 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 122.127 -0.358 . . . . 0.0 110.938 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HG3' ' CG ' ' B' ' 52' ' ' ASP . 71.7 mmtt 67.85 26.44 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.579 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 37.5 mmt -103.62 31.72 4.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.92 -35.55 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.23 -0.896 . . . . 0.0 113.315 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -73.81 -4.57 35.57 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 121.4 -0.813 . . . . 0.0 112.297 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 69.0 m-85 -92.95 1.59 57.22 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.724 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m -61.98 -32.68 73.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.68 46.34 1.15 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.898 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 50.2 m80 -155.24 -56.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.462 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -59.3 -45.68 90.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.267 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.511 ' SD ' HG22 ' A' ' 37' ' ' THR . 22.8 mmt -63.35 -33.4 75.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.94 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.59 -17.82 43.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 111.515 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.77 0.9 55.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.753 0.311 . . . . 0.0 111.381 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.23 76.77 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.511 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -92.04 69.99 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.511 HG22 ' SD ' ' A' ' 32' ' ' MET . 15.6 p -82.04 -75.23 0.31 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.232 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . . . -69.22 153.25 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.926 0.393 . . . . 0.0 111.431 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.85 -38.45 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 2.5 mp0 -59.34 -30.64 68.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.766 0.317 . . . . 0.0 110.901 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HE2' ' HB3' ' A' ' 38' ' ' ALA . 2.4 mppt? -83.56 -35.58 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 45' ' ' MET . 91.6 t -60.63 -39.63 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.857 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 71' ' ' LEU . 19.8 m -75.41 -11.77 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 76.6 mt-30 -85.36 -18.87 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.386 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 7.6 ptp -65.53 174.93 1.99 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.015 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 11.0 t -129.2 174.64 9.39 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.14 -43.93 82.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.843 0.354 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.88 -35.27 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' THR . 37.5 m-20 -56.91 -41.89 78.95 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.876 HD12 HG21 ' A' ' 64' ' ' ILE . 41.7 mm -56.43 -34.46 41.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.658 0.742 . . . . 0.0 110.962 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -85.72 -14.36 45.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.343 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -94.38 -30.52 14.44 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.369 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.2 pt -76.13 6.33 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.924 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.14 -82.04 0.31 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.054 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 27' ' ' TYR . 1.9 t -24.34 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -103.35 -5.33 23.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.759 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.1 mt -86.11 127.1 63.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.444 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.22 -46.24 35.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.746 2.964 . . . . 0.0 114.013 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.59 -38.81 78.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.402 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 37.9 m-70 -63.84 -31.97 73.33 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -69.69 -58.04 4.41 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.49 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -36.48 -51.68 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.896 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -58.25 7.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.876 HG21 HD12 ' A' ' 50' ' ' ILE . 56.7 mt -61.3 -49.66 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.621 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -55.36 -39.56 70.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.709 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.98 -55.84 28.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.368 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.432 ' HB2' ' NE1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -58.42 -35.16 71.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.701 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 50' ' ' ILE . 33.4 mt -62.12 -39.73 93.52 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 45.3 mt -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.271 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.32 89.69 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.508 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' A' ' 43' ' ' VAL . 26.6 mt -57.0 -45.77 82.79 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.631 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 75' ' ' VAL . 26.4 mttt -64.92 -40.91 95.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.45 -43.7 89.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -59.08 -45.13 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.797 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.0 p -71.25 -13.77 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 111.641 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -94.01 -5.17 48.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.182 0.515 . . . . 0.0 110.375 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.053 178.806 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptt? . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.391 0.139 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -49.14 78.35 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.58 44.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.848 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.45 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 30.7 t90 -76.79 -47.21 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.45 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 59.8 mt -80.05 29.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 13.1 tpp180 -109.47 1.21 19.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.77 -11.12 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.894 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.412 HD13 ' OG1' ' B' ' 81' ' ' THR . 15.1 pt -134.65 17.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.95 54.25 19.25 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.579 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -126.67 10.77 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.773 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pm0 -59.23 -25.54 64.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.392 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -10.48 56.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.22 -9.97 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.38 -62.55 1.43 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -46.82 -40.42 13.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.31 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.81 -38.42 96.13 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.397 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.55 -47.56 26.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.457 0.17 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 73.4 t -44.91 -36.22 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -18.96 46.62 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.506 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 74.3 m-20 -108.78 26.23 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.49 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.402 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 69.57 49.5 37.03 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.257 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -121.22 31.43 6.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 110.269 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.18 41.05 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.81 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -152.5 174.33 14.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.094 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.42 -16.83 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.629 0.252 . . . . 0.0 111.476 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.74 -49.81 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.268 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.34 -30.95 63.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.7 -15.27 63.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -66.02 -22.68 66.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -125.22 60.91 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.485 0.659 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -94.02 151.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.997 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -100.12 162.06 13.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.88 -27.43 68.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.77 -45.79 70.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.19 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -43.67 78.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.487 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 67.5 mt -57.11 -54.78 42.84 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.96 31.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.822 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -65.73 -11.15 43.12 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.55 -0.77 31.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.675 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 -11.51 33.16 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.737 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.2 t -83.73 74.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.317 0.579 . . . . 0.0 110.203 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -92.86 2.11 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -84.19 129.31 58.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.3 -43.18 29.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.983 2.455 . . . . 0.0 113.104 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -63.72 -48.7 76.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.555 0.217 . . . . 0.0 111.397 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -62.37 -37.72 86.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.607 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -64.02 -57.27 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.78 -43.9 69.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.498 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -57.99 -48.4 80.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.99 -48.09 83.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.93 -45.1 74.76 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -40.14 91.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.412 ' OG1' HD13 ' B' ' 36' ' ' ILE . 29.9 m -65.53 -38.59 90.09 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.76 -48.19 80.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -67.5 -40.36 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 178.679 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.323 0.106 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 t -52.35 -40.0 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 123.406 0.441 . . . . 0.0 111.526 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.884 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.66 -34.29 69.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -67.47 -41.81 84.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.6 mt -73.18 -26.09 61.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.033 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.28 -48.01 74.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -51.15 50.33 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.43 5.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 O-C-N 121.943 -0.473 . . . . 0.0 111.467 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HG3' ' HB2' ' B' ' 55' ' ' PHE . 14.9 mmtp 59.67 40.36 20.05 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.41 0.624 . . . . 0.0 111.651 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 mmt -111.86 32.79 5.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -57.83 -30.41 65.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.68 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pm0 -77.91 -9.92 59.32 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 121.918 -0.489 . . . . 0.0 111.536 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.74 -3.01 58.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 110.82 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -66.27 -26.24 67.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 109.764 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -83.88 48.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.308 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -44.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.469 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -59.83 -44.46 94.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.607 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.702 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 25.9 mmt -71.69 -25.29 62.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.298 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -18.08 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 0.0 110.85 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.2 -4.36 59.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.551 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.6 -10.02 55.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.738 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -87.09 76.57 9.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.3 0.571 . . . . 0.0 109.721 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.702 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -95.18 5.82 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.613 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.08 156.78 39.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.73 0.3 . . . . 0.0 110.861 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -53.98 -42.25 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.8 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.69 -33.98 76.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.236 -178.525 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -78.56 -35.81 45.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.6 t -61.62 -37.92 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.288 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.591 HG12 ' HB3' ' A' ' 71' ' ' LEU . 17.1 m -75.49 -12.19 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.638 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -82.45 -25.67 33.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.817 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.567 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.0 ptp -65.5 173.66 2.59 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.416 HG22 ' OD2' ' A' ' 49' ' ' ASP . 6.6 t -132.62 -179.09 5.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.18 -44.01 71.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.655 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' H ' HG23 ' A' ' 46' ' ' THR . 25.9 t70 -59.77 -39.51 85.09 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' A' ' 46' ' ' THR . 5.1 m-20 -54.05 -45.35 71.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.749 0.309 . . . . 0.0 111.273 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.874 HD12 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -56.04 -42.16 71.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 123.738 0.815 . . . . 0.0 110.997 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -81.6 -11.08 59.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.702 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -95.62 -36.05 11.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -76.41 18.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.136 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.17 -93.28 0.41 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.081 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -9.09 81.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.641 1.577 . . . . 0.0 114.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -88.84 -16.22 32.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' B' ' 47' ' ' HIS . 41.5 mt -76.19 119.47 77.43 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 13.9 Cg_endo -55.52 -39.93 88.27 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.137 2.558 . . . . 0.0 113.598 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.553 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -64.31 -46.2 91.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.41 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.434 ' CD2' HD12 ' A' ' 57' ' ' LEU . 23.7 m-70 -63.21 -31.58 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -61.83 -66.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.81 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -39.04 -46.68 1.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.09 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -59.79 -46.43 89.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.897 179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.874 HG21 HD12 ' A' ' 50' ' ' ILE . 93.4 mt -68.39 -44.77 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -60.44 -39.07 86.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.053 0.454 . . . . 0.0 110.945 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -67.03 -41.01 87.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 m -68.44 -29.63 68.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.092 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 50' ' ' ILE . 15.8 mt -66.57 -36.39 82.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.425 0.155 . . . . 0.0 111.417 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 42.4 mt -60.98 -38.44 85.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.84 96.45 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.469 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.591 ' HB3' HG12 ' A' ' 43' ' ' VAL . 12.7 mt -60.84 -46.47 90.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.885 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.499 ' O ' HG12 ' A' ' 75' ' ' VAL . 37.7 mttm -63.24 -39.97 96.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.11 -43.11 93.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.92 -37.65 87.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.6 p -75.86 -10.06 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.253 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -89.85 -11.63 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.607 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptt? . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -53.36 59.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.052 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.21 65.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.177 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -68.51 -50.88 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.025 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.489 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -60.05 -6.23 1.3 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.3 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 pt -127.84 27.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.187 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.42 51.65 21.07 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.916 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 12.97 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.038 0.419 . . . . 0.0 111.654 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -53.08 -24.46 10.11 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.95 -11.46 60.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -87.81 -22.92 24.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.48 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.466 ' O ' HG23 ' B' ' 46' ' ' VAL . 29.9 tt0 -48.71 -51.42 28.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.197 0.31 . . . . 0.0 110.946 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -43.62 -46.11 7.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.642 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.74 60.33 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.551 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.15 24.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.467 0.307 . . . . 0.0 111.645 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 42' ' ' GLU . 46.2 t -104.13 -38.26 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.646 ' HA ' HD13 ' A' ' 57' ' ' LEU . 12.4 m170 -71.11 -4.85 27.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.553 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 2.2 m120 -114.87 3.95 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.199 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.69 38.55 61.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.711 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -109.92 19.55 18.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.431 0.634 . . . . 0.0 109.512 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.05 -19.22 40.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.998 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.13 112.61 20.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.632 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 30.8 mt -58.44 -37.06 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -62.03 -38.11 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.554 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t80 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 tp -61.69 -24.93 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -68.66 -11.96 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -117.73 16.87 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.942 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.3 144.24 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.008 0.432 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -92.81 177.18 6.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.91 -6.57 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -94.38 -43.88 8.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.022 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.16 -33.24 51.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.609 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.25 -57.05 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -42.7 -34.21 0.86 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 1.2 mm-40 -56.18 -40.08 73.39 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.06 20.5 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.878 0.371 . . . . 0.0 111.499 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.07 84.83 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.549 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 62.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.49 0.662 . . . . 0.0 110.132 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.17 23.37 9.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.936 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -107.39 133.9 20.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.381 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.04 -52.07 8.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.239 2.626 . . . . 0.0 113.307 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.59 89.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.714 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -62.36 -44.71 95.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -61.18 -52.14 66.08 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.38 -49.38 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.032 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.16 -47.43 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.787 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -48.76 80.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 110.339 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' B' ' 82' ' ' LEU . 6.0 tp -56.17 -41.73 75.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.91 -39.39 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.9 m -62.5 -35.44 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.216 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 79' ' ' LEU . 78.9 mt -53.66 -39.76 65.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.53 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -80.21 -52.04 8.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.403 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.685 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.709 0.29 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' H ' HG23 ' A' ' 15' ' ' VAL . 15.3 t -49.07 -41.96 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.958 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -40.95 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.863 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mt-10 -63.88 -35.16 79.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 111.339 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -72.86 -36.13 67.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.161 0.505 . . . . 0.0 109.961 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -75.53 -38.54 59.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.569 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -69.64 -39.34 77.17 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -58.5 -41.05 84.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 pt -86.84 3.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.176 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 19.7 mmtp 58.57 42.55 20.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.183 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.32 26.64 9.08 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.043 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -75.37 -2.77 30.02 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 119.084 0.856 . . . . 0.0 111.327 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' HG22 ' A' ' 55' ' ' VAL . 73.7 m-85 -92.43 8.55 38.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 0.0 110.186 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -71.71 -27.38 62.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.46 43.81 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.672 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -160.39 -51.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.28 -41.05 79.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.222 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.546 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 24.7 mmt -72.6 -24.53 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.19 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -24.57 40.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.066 0.46 . . . . 0.0 110.695 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.6 -3.06 52.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.068 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.29 -3.72 61.88 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.07 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.45 77.46 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.43 0.634 . . . . 0.0 109.505 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.546 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.5 p -97.7 5.44 49.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.885 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -149.58 153.69 37.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.6 mm -58.65 -34.96 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.65 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.68 -32.36 73.42 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.526 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -79.66 -38.19 34.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' A' ' 45' ' ' MET . 75.7 t -58.3 -41.26 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.403 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 71' ' ' LEU . 29.3 m -74.12 -16.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.564 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -82.47 -26.04 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 7.9 ptp -66.68 176.87 1.79 Allowed 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.3 t -136.18 178.15 7.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.29 -36.04 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.9 78.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.084 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.11 -48.67 78.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -53.67 -43.46 55.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 C-N-CA 123.614 0.766 . . . . 0.0 111.008 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -77.73 -10.25 59.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.043 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -103.42 -34.88 8.57 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -76.13 15.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.44 -94.31 0.35 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.944 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 27' ' ' TYR . 1.6 t -10.6 87.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.527 1.531 . . . . 0.0 114.486 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -93.92 -15.57 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.568 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 57' ' ' LEU . 37.7 mt -75.32 129.52 82.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.71 -47.72 22.19 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.564 2.843 . . . . 0.0 113.816 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.59 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.61 -34.96 73.75 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 120.061 -1.066 . . . . 0.0 112.852 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -65.03 -29.81 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.767 0.794 . . . . 0.0 109.071 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -72.66 -64.57 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.97 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -35.88 -48.49 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.196 0.935 . . . . 0.0 112.917 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.541 ' HD3' ' CE2' ' B' ' 55' ' ' PHE . 0.1 OUTLIER -58.17 -49.06 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.053 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.89 HG21 HD12 ' A' ' 50' ' ' ILE . 90.0 mt -65.9 -47.51 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.224 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.75 81.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.071 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -54.97 -49.95 70.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.437 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -62.6 -33.58 75.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.86 -38.78 92.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.82 -41.13 90.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.22 91.35 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.826 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' HB3' HG12 ' A' ' 43' ' ' VAL . 43.2 mt -57.87 -45.3 86.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.762 0.315 . . . . 0.0 110.985 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 mttm -61.82 -43.19 99.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.0 -42.35 94.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.26 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 15.2 mm-40 -58.55 -42.88 88.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.953 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.5 p -74.02 -10.01 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.398 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.45 -15.85 23.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 110.528 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.56 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 6.9 ptt? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -56.67 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.6 -27.02 57.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.107 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -75.64 -57.46 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' B' ' 42' ' ' GLU . 83.4 mt -59.52 -31.63 69.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.0 -10.16 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -29.24 65.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.042 0.449 . . . . 0.0 109.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 pt -129.84 27.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.71 49.0 17.39 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 113.659 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.35 14.13 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.486 -0.42 . . . . 0.0 111.501 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -55.36 -25.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.084 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -69.56 -0.4 6.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.634 0.254 . . . . 0.0 111.547 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -105.31 -21.48 13.23 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.455 -0.153 . . . . 0.0 111.375 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.43 ' HB2' HD12 ' B' ' 33' ' ' LEU . 68.8 tt0 -48.0 -52.83 18.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.311 0.382 . . . . 0.0 110.921 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -48.05 7.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.372 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.42 44.73 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.747 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.8 -58.89 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.363 0.125 . . . . 0.0 111.208 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -44.75 -37.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.86 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.59 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 3.0 m120 -112.95 27.24 9.79 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.373 -0.531 . . . . 0.0 112.061 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.6 54.79 4.85 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.205 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -133.01 34.21 3.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.486 0.66 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -78.34 -17.28 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.583 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' HG3' ' A' ' 23' ' ' LYS . 29.1 t70 -104.42 127.74 52.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.04 -29.7 60.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.437 ' HB2' ' HZ2' ' A' ' 23' ' ' LYS . 18.0 mt-10 -63.02 -44.39 96.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.225 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . 0.541 ' CE2' ' HD3' ' A' ' 63' ' ' ARG . 31.8 t80 -73.48 -28.9 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.5 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.4 -24.56 66.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -16.55 64.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -112.02 24.51 12.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.901 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.0 tt -76.36 148.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.148 0.499 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.8 p -102.34 166.23 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.137 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.88 -15.01 62.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.11 -52.8 6.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.573 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -22.38 65.98 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.4 -51.38 69.66 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -41.28 -37.66 1.01 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.71 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.464 ' HB3' HD22 ' B' ' 48' ' ' ASN . 9.9 mm-40 -54.7 -33.58 61.13 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.69 10.7 24.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.87 0.367 . . . . 0.0 111.567 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.03 -4.15 70.94 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.304 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.64 71.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.054 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.64 -8.23 35.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.715 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -76.44 128.6 81.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.76 -46.15 31.62 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.148 2.565 . . . . 0.0 113.367 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.0 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.618 0.247 . . . . 0.0 111.552 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -60.29 -39.03 85.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.85 -54.75 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 109.756 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -54.97 -44.86 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.924 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.47 -47.55 83.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.387 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -49.26 77.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.355 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' B' ' 82' ' ' LEU . 1.2 mp -54.88 -43.03 72.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.244 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.98 -41.64 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.05 0.453 . . . . 0.0 110.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 m -64.74 -34.34 78.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.429 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' B' ' 79' ' ' LEU . 83.4 mt -53.95 -47.77 70.94 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 120.736 0.303 . . . . 0.0 110.998 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -73.96 -45.72 48.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.785 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -179.717 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.68 -39.27 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -50.74 71.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.43 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.42 -31.64 71.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.851 0.358 . . . . 0.0 111.6 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.178 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -79.36 -33.25 43.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.862 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.56 -45.54 86.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.972 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.19 -40.41 67.53 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -88.47 5.04 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.85 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt 67.77 35.08 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.555 0.742 . . . . 0.0 111.87 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 mmt -114.22 25.58 10.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -27.4 38.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.01 -0.996 . . . . 0.0 113.103 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -82.11 -4.38 56.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.542 0.61 . . . . 0.0 111.809 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CD1' HG22 ' A' ' 55' ' ' VAL . 74.1 m-85 -96.74 2.31 51.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 m -64.34 -32.38 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.794 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.07 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.82 0.819 . . . . 0.0 109.638 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.037 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.2 -41.6 98.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 110.578 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtt -61.68 -45.51 93.69 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.545 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.8 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 110.756 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 -20.34 60.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.497 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.6 44.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.734 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.19 73.67 4.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.159 0.504 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.6 13.72 33.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -148.77 146.26 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.361 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.9 mm -53.66 -43.29 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.23 -27.42 69.04 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.53 -178.504 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 19.9 mttp -84.99 -34.68 22.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.744 0.307 . . . . 0.0 110.714 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.7 t -59.7 -36.91 68.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.75 -5.3 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 41' ' ' LYS . 77.0 mt-30 -83.68 -24.41 31.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.649 0.261 . . . . 0.0 110.749 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.602 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 12.2 ptp -64.67 179.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 111.555 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 t -139.22 176.08 9.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.79 -52.36 60.51 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.349 0.406 . . . . 0.0 111.814 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.54 -36.41 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 111.584 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -62.53 -37.75 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.299 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.85 HD11 ' CD1' ' A' ' 68' ' ' LEU . 93.2 mt -60.02 -28.96 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.592 0 CA-C-O 121.583 0.706 . . . . 0.0 111.018 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 61' ' ' GLN . 16.4 mtpp -86.72 -13.94 43.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.294 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 52' ' ' ARG . 15.4 ttp85 -91.2 -38.49 12.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.2 pt -70.34 11.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.689 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.38 -85.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.955 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 55' ' ' VAL . 3.5 t -23.93 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.552 1.141 . . . . 0.0 113.842 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -97.23 -11.55 24.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 58' ' ' PRO . 80.5 mt -78.19 120.63 81.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.105 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -59.0 -42.24 53.76 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.207 2.604 . . . . 0.0 113.331 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.442 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -68.93 -31.59 72.78 Favored Glycine 0 N--CA 1.44 -1.058 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.105 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -71.76 -30.08 65.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG2' HG22 ' A' ' 50' ' ' ILE . 32.0 mt-30 -68.21 -62.29 1.46 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.18 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -43.44 -43.16 5.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.752 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.63 -52.93 63.4 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.22 0.533 . . . . 0.0 109.903 178.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.72 -43.58 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.269 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.46 -37.62 73.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.369 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.569 0.7 . . . . 0.0 110.322 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 m -71.26 -24.2 62.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.899 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.85 ' CD1' HD11 ' A' ' 50' ' ' ILE . 12.9 mt -71.23 -32.83 69.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.6 mt -64.61 -42.1 95.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.75 -45.98 94.82 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.061 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.41 -43.78 88.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 111.446 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 75' ' ' VAL . 58.9 mttm -65.89 -38.66 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.28 -41.27 73.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.296 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -66.81 -35.73 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.518 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.4 p -72.62 -17.82 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.374 0.607 . . . . 0.0 110.126 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -92.56 -8.91 43.03 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.203 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -59.99 -49.57 77.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.165 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.35 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.676 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -69.21 -42.56 75.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.955 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.8 -28.02 60.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.153 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.472 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 6.0 tpp180 -59.68 -22.29 61.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.983 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.67 68.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.589 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.421 HD13 ' OG1' ' B' ' 81' ' ' THR . 14.9 pt -121.48 17.73 5.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.686 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.85 46.16 60.58 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.49 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.57 14.17 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.933 0.366 . . . . 0.0 110.972 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.472 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 2.9 pm0 -53.37 -21.61 6.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -72.27 -15.16 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -86.38 -22.87 26.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.483 ' O ' HG23 ' B' ' 46' ' ' VAL . 70.9 tt0 -49.75 -31.17 10.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.0 -48.27 73.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.88 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.17 -28.9 55.2 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.796 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.14 14.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 42' ' ' GLU . 49.0 t -102.63 -28.25 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.243 0.544 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -77.46 -10.87 59.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.263 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.497 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 1.0 OUTLIER -111.35 -2.46 15.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.623 0.249 . . . . 0.0 111.112 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.13 52.92 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.699 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 56.9 m95 -116.25 21.5 13.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.104 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.87 5.11 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -111.2 112.02 23.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.261 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.79 -53.93 43.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.176 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.56 -28.6 66.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.237 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.85 -22.37 66.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.998 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.6 m -76.47 -2.49 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.744 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.29 17.49 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.188 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.5 tt -70.06 141.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 59.4 p -102.17 177.54 4.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.0 -16.6 61.51 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.68 -52.76 10.77 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.454 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -52.06 -46.09 65.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -48.83 -61.72 1.9 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.511 0.196 . . . . 0.0 110.661 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -42.53 -47.28 5.1 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.805 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.16 -31.75 67.55 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.05 4.57 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 111.476 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.44 -8.36 60.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.653 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 t -82.33 75.59 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.218 0.533 . . . . 0.0 110.047 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -96.95 -12.79 22.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.283 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 30.1 t70 -69.55 128.86 91.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.975 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 71' ' ' ASP . 65.0 Cg_exo -52.48 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.323 2.682 . . . . 0.0 113.377 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.1 90.26 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 35.6 m80 -61.66 -41.14 97.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.834 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -64.2 -47.78 78.45 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -57.88 -49.94 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.637 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.49 -48.7 78.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.941 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -45.32 89.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.579 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.14 -36.61 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.74 -37.87 64.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.181 0.515 . . . . 0.0 110.231 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.448 ' HA ' ' HB3' ' B' ' 84' ' ' LEU . 13.7 m -60.79 -34.42 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.123 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 95.5 mt -53.3 -31.05 42.09 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.043 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.41 -49.46 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' B' ' 81' ' ' THR . 14.6 tp . . . . . 0 N--CA 1.465 0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.742 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.756 0.312 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.11 -40.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.412 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 p -57.2 -43.57 82.87 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.333 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.47 -47.42 86.21 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.673 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 7.2 t90 -61.21 -55.53 31.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.526 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 18.2 mt -58.61 -41.78 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.684 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.38 -46.63 88.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.462 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.7 p -62.16 -39.68 93.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.9 pt -85.12 -1.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 121.495 -0.753 . . . . 0.0 110.543 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 71.65 18.59 5.25 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.937 177.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 mmt -100.16 26.97 5.96 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -54.76 -33.33 61.16 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -77.44 14.77 0.9 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.37 4.17 10.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.203 0.525 . . . . 0.0 110.056 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -65.86 -35.51 80.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.682 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.13 5.65 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.459 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.22 -41.71 3.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -59.57 -45.12 92.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.611 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.72 ' SD ' HG22 ' A' ' 37' ' ' THR . 20.0 mmt -62.4 -26.6 68.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.953 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.07 46.33 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.0 110.917 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -26.68 61.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.5 14.31 7.6 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.337 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.27 71.16 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.38 0.609 . . . . 0.0 109.952 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.72 HG22 ' SD ' ' A' ' 32' ' ' MET . 22.9 p -99.35 15.11 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.855 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -150.35 153.02 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.69 -45.2 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.98 -38.55 91.59 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.301 -178.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG3' ' OE1' ' A' ' 40' ' ' GLU . 3.1 mttp -66.83 -35.83 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.237 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 38' ' ' ALA . 52.0 t -59.99 -39.09 79.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.35 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.59 -36.2 33.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.411 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 1.9 ptp -61.08 178.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.335 0.588 . . . . 0.0 111.513 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.428 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 14.1 t -132.67 175.73 9.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.48 -48.07 72.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.234 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.5 -30.41 71.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.93 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -62.07 -34.65 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.105 0.478 . . . . 0.0 110.044 179.704 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.648 HD11 HD11 ' A' ' 68' ' ' LEU . 92.8 mt -59.27 -30.84 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 123.435 0.694 . . . . 0.0 110.994 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -78.16 -22.91 48.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.768 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -86.06 -34.57 20.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.075 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.28 -12.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.45 -70.16 0.38 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.222 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -37.51 107.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -118.61 25.23 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.03 0.443 . . . . 0.0 111.07 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 30.7 mt -111.81 133.45 21.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.97 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.31 -53.36 6.79 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 124.078 3.186 . . . . 0.0 114.674 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.34 -36.68 93.51 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.979 -1.105 . . . . 0.0 111.846 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 26.7 m80 -69.94 -25.66 63.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.853 0.835 . . . . 0.0 108.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -88.28 -1.34 57.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.636 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.36 -42.32 7.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.299 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.471 HH22 ' HA ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -56.49 -51.79 67.17 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 68.9 mt -62.92 -45.15 99.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.7 91.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.5 -49.4 77.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 15.8 m -64.93 -32.47 74.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD11 HD11 ' A' ' 50' ' ' ILE . 82.4 mt -60.16 -37.63 80.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.294 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.63 -48.16 82.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.15 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.944 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt -60.69 -42.31 96.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.877 0.37 . . . . 0.0 111.228 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.71 -33.38 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.5 -39.38 70.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.823 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -60.44 -41.26 93.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.702 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.86 -11.63 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -91.4 -17.35 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.467 0.651 . . . . 0.0 109.838 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.59 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.2 ptt? . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.769 0.319 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -56.4 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.43 -33.74 45.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -75.06 -45.55 40.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.09 -29.77 70.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' CD ' ' B' ' 39' ' ' GLU . 11.1 tpp180 -58.43 -12.38 3.83 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.712 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.19 68.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.521 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.479 HD13 ' OG1' ' B' ' 81' ' ' THR . 9.2 pt -128.77 15.93 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.267 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.56 93.36 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.646 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.8 17.53 18.0 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.483 -0.422 . . . . 0.0 111.188 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.404 ' CD ' ' HD3' ' B' ' 34' ' ' ARG . 23.7 pm0 -65.43 -16.77 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 110.37 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -67.31 -11.28 57.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.204 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -108.1 -4.7 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -50.42 -58.01 6.7 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -46.83 -45.9 20.48 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.29 -35.15 89.9 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.224 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 82.9 mt -71.43 -52.29 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.688 0.28 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.409 HG22 ' HB3' ' B' ' 51' ' ' ASP . 97.3 t -54.27 -43.73 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.9 -47.93 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.489 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.59 -50.86 70.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.987 0.422 . . . . 0.0 110.402 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.409 ' HA3' ' N ' ' A' ' 60' ' ' HIS . . . 137.87 47.82 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.326 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.489 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 47.4 m95 -127.67 24.14 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.674 0.274 . . . . 0.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.409 ' HB3' HG22 ' B' ' 46' ' ' VAL . 17.9 p-10 -81.28 3.09 25.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.209 0.528 . . . . 0.0 110.228 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 23' ' ' LYS . 1.9 m-20 -90.28 105.18 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.107 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.65 -23.97 62.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.07 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.49 3.79 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.358 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.471 ' HA ' HH22 ' A' ' 63' ' ' ARG . 12.4 tp -71.25 -21.12 62.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.596 0.236 . . . . 0.0 111.21 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -69.56 -24.92 63.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.056 0.455 . . . . 0.0 110.388 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.32 90.74 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.8 tt -154.34 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.641 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -102.09 175.74 5.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.039 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.75 -26.85 66.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' B' ' 64' ' ' LEU . 49.2 mt-10 -78.26 -28.44 47.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.835 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -80.1 21.62 0.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.394 0.616 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.515 HD22 HD13 ' B' ' 78' ' ' LEU . 72.7 mt -116.22 -62.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HG2' ' B' ' 70' ' ' GLN . 0.1 OUTLIER -47.83 -28.96 2.85 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.79 177.06 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -62.33 -23.09 66.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.956 0.408 . . . . 0.0 111.132 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.62 8.9 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.246 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 -5.85 49.68 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -81.77 68.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.25 0.547 . . . . 0.0 110.19 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.566 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 93.8 mt-30 -98.2 27.48 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.223 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -116.41 131.86 23.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.3 -40.73 65.67 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.065 2.51 . . . . 0.0 113.344 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.57 81.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -64.32 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.62 -54.49 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -52.09 -42.67 63.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.643 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -43.3 96.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.515 HD13 HD22 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -59.99 -52.27 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.83 -47.42 77.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.69 -43.16 89.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.813 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.479 ' OG1' HD13 ' B' ' 36' ' ' ILE . 21.0 m -69.11 -33.15 73.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.439 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 89.9 mt -60.06 -49.82 76.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.358 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.61 -33.54 75.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.398 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 tp . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.508 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 t -56.21 -36.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.434 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -62.0 -35.57 78.93 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 111.687 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.439 ' CZ2' ' HB3' ' A' ' 67' ' ' SER . 52.4 t90 -66.12 -37.25 85.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 13.5 mt -88.07 -27.38 22.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -65.32 -46.49 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.339 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -55.63 -48.38 75.02 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 pt -79.85 2.45 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.499 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 67.19 38.52 3.35 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.843 0.715 . . . . 0.0 112.524 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.2 mmt -118.33 30.21 7.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.737 0.779 . . . . 0.0 109.165 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -57.38 -23.19 47.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.449 -1.25 . . . . 0.0 113.979 -178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -81.66 -7.51 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.721 0.691 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.508 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 73.4 m-85 -97.32 -8.62 29.24 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -56.37 -37.59 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.11 -50.74 70.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -55.89 -39.76 72.02 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.418 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 14.9 m-85 -61.5 -48.51 80.77 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.52 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.411 ' HG2' HG23 ' A' ' 37' ' ' THR . 56.3 mtt -73.0 -7.21 50.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.106 -177.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 -15.84 21.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 0.0 110.05 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.61 -4.04 45.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.21 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.39 -7.58 47.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.745 -0.741 . . . . 0.0 113.051 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -86.97 68.61 10.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -102.78 7.73 39.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.14 -179.356 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -138.86 141.11 38.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.341 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.98 -45.29 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' OE2' ' HB1' ' A' ' 38' ' ' ALA . 1.3 mp0 -58.96 -33.62 70.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.77 0.319 . . . . 0.0 111.346 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.52 -33.72 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.105 0.478 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -64.86 -43.32 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.296 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 71' ' ' LEU . 20.4 m -74.27 -14.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -81.79 -25.02 35.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.365 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.5 ptp -66.44 -178.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -131.82 176.66 8.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.86 -41.27 77.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.168 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.09 -32.67 73.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.425 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 46' ' ' THR . 2.9 m-20 -58.87 -36.13 74.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.109 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 68' ' ' LEU . 96.2 mt -57.0 -39.56 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.262 0.553 . . . . 0.0 111.004 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 7.3 mtpp -77.59 -38.45 48.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.383 0.611 . . . . 0.0 109.433 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -45.97 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.035 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 pt -71.8 6.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.47 -81.37 0.33 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.26 -0.971 . . . . 0.0 112.98 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.433 HG22 ' CD1' ' A' ' 27' ' ' TYR . 2.2 t -23.9 96.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.89 1.276 . . . . 0.0 114.236 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.08 -10.19 24.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.541 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' B' ' 47' ' ' HIS . 41.3 mt -78.66 122.01 84.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.87 -42.77 60.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.954 2.436 . . . . 0.0 112.798 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -66.77 -39.64 93.62 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.769 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -69.02 -28.91 67.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.651 ' HG2' HG22 ' A' ' 50' ' ' ILE . 35.3 mt-30 -68.2 -63.16 1.11 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.457 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -39.73 -46.58 1.92 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.148 0.905 . . . . 0.0 111.65 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -54.37 -54.19 43.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.51 -45.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.732 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.92 81.51 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.87 -46.54 87.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.115 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -65.15 -36.72 85.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.071 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD12 HD11 ' A' ' 50' ' ' ILE . 9.2 mt -60.89 -42.21 97.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.28 -40.65 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.506 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.27 -47.21 92.19 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.698 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' A' ' 43' ' ' VAL . 15.9 mt -59.67 -44.05 93.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.238 . . . . 0.0 111.309 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.44 ' O ' HG12 ' A' ' 75' ' ' VAL . 67.0 mttm -61.04 -45.23 95.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.49 -45.78 82.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.036 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -59.96 -41.82 92.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 72' ' ' LYS . 5.4 p -71.55 -18.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 111.195 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -91.68 -6.0 52.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.16 0.505 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.707 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.861 0.363 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -54.58 45.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.153 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.48 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -69.5 -47.41 63.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.098 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.7 mt -71.07 -28.4 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.83 -15.13 7.38 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.261 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -31.65 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.3 pt -127.36 21.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.053 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.49 50.45 35.82 Favored Glycine 0 CA--C 1.52 0.387 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.364 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -120.36 12.56 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.906 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -53.51 -22.71 8.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -62.43 -19.7 63.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -50.28 -36.42 31.44 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.4 -49.77 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.321 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.91 -19.62 61.0 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.828 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.15 17.49 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.13 -26.12 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.245 0.545 . . . . 0.0 110.151 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 17.0 m-70 -69.28 -19.37 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.594 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.0 OUTLIER -110.06 1.71 19.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.477 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.21 42.81 95.53 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 13.9 m95 -88.2 18.72 4.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.508 . . . . 0.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.496 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.7 98.8 7.12 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.85 -21.88 61.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.785 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.74 -61.63 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.796 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -69.69 -24.87 63.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.42 -24.61 67.69 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.099 0.476 . . . . 0.0 110.183 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 m -72.8 -16.92 61.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.465 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -110.45 21.21 16.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 tt -78.46 155.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 19.2 p -104.78 172.26 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 0.0 110.424 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -82.95 13.46 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.032 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.417 ' HA ' ' OE2' ' B' ' 65' ' ' GLU . 35.9 mt-10 -126.08 34.7 4.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.527 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -132.92 -40.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.32 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.511 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 66.5 mt -52.99 -46.68 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.12 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.417 ' OE2' ' HA ' ' B' ' 62' ' ' GLU . 2.5 pm0 -40.58 -41.43 1.47 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.0 tt0 -60.01 -30.75 69.36 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.37 -3.37 58.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.6 -10.34 23.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.276 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.1 t -82.86 71.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -100.44 12.15 37.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 0.0 110.181 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 16.5 t70 -91.81 135.08 27.93 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.782 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.07 -55.17 3.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.054 2.502 . . . . 0.0 113.161 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.26 90.45 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . 0.453 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 49.8 m170 -58.32 -43.99 88.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.314 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -66.02 -42.83 89.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.406 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.86 -50.76 70.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.503 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.22 -45.04 80.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.654 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.36 -42.18 98.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.777 0.323 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.64 -37.12 82.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -72.78 -36.32 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.248 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.9 m -64.3 -31.97 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.857 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.14 -30.09 67.89 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.175 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -87.26 -59.29 2.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.955 179.423 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.577 0.227 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.28 -40.08 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.692 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -47.01 81.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.785 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.93 -36.78 85.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.007 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -67.58 -44.95 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.215 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.01 -22.47 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.512 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.55 -36.12 33.46 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -54.22 -32.35 55.62 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 pt -105.89 -0.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' B' ' 52' ' ' ASP . 55.1 mmtt 64.07 44.82 4.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 112.382 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.5 mmt -121.08 23.96 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -58.39 -23.18 56.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.971 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -82.93 -0.3 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.262 -0.899 . . . . 0.0 111.462 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 66.7 m-85 -97.58 2.74 50.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.306 . . . . 0.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 m -63.52 -30.91 71.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.354 0.597 . . . . 0.0 110.373 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -68.05 4.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.09 -43.65 2.53 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 30.4 m-85 -55.49 -46.82 76.86 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.56 0.695 . . . . 0.0 110.134 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.493 ' SD ' HG22 ' A' ' 37' ' ' THR . 22.9 mmt -64.34 -39.94 94.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.329 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.68 -25.15 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.723 0.297 . . . . 0.0 111.747 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -9.57 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.55 -4.05 30.97 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.255 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -89.01 75.76 7.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.413 0.625 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.493 HG22 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -99.14 3.91 46.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.831 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.08 161.24 42.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.01 -44.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.57 -40.36 87.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.903 0.32 . . . . 0.0 111.417 -178.37 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -69.39 -38.74 78.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.797 0.332 . . . . 0.0 110.19 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 38' ' ' ALA . 75.5 t -61.28 -35.57 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.22 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.47 -12.3 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.953 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -82.49 -29.22 30.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.899 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.9 ptp -58.92 167.2 1.68 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.177 0.513 . . . . 0.0 111.644 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 9.4 t -119.33 175.12 5.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.244 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.6 -44.22 85.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.67 -22.84 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.632 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 46' ' ' THR . 0.2 OUTLIER -60.91 -34.86 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.744 HD11 HD12 ' A' ' 68' ' ' LEU . 93.0 mt -56.23 -35.26 41.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.833 0.825 . . . . 0.0 111.001 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 3.1 mtpp -83.61 -38.66 21.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.518 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -62.56 -36.03 81.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.25 -0.08 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.24 -81.31 0.26 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.64 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 21.3 t -28.51 97.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.71 -4.04 34.49 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.858 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' B' ' 47' ' ' HIS . 80.1 mt -83.29 119.88 74.77 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 11.5 Cg_endo -53.28 -48.17 23.48 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.599 2.866 . . . . 0.0 114.11 -177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.586 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -65.42 -37.48 93.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.399 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.518 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 4.2 m-70 -65.94 -27.46 68.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 109.111 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 31.3 mt-30 -69.27 -64.02 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.11 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -37.93 -44.43 0.78 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.73 -46.03 90.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.979 0.419 . . . . 0.0 110.917 -178.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.2 mt -70.58 -50.49 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.11 78.41 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.78 -45.67 85.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.197 0.523 . . . . 0.0 110.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -65.7 -28.64 69.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.143 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 50' ' ' ILE . 14.0 mt -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.424 -0.172 . . . . 0.0 110.581 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.1 mt -53.95 -38.71 65.23 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.428 0.455 . . . . 0.0 110.581 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.55 -45.47 94.63 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.505 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.73 -45.32 93.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 0.0 111.046 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -58.74 -42.84 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.214 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.24 -41.1 61.85 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.865 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -65.12 -38.11 89.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.807 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.2 -16.13 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.802 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -99.62 1.36 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.98 -54.11 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.081 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.81 64.67 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.062 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -71.16 -53.39 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.329 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.413 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 15.1 mt -57.6 -29.31 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.406 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.93 -24.76 25.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.395 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.25 57.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.677 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -120.41 23.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.03 34.0 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.056 -0.975 . . . . 0.0 113.644 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.88 14.14 24.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.02 0.438 . . . . 0.0 110.794 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.413 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -50.36 -31.03 13.6 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.554 179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -66.49 -8.09 24.02 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.456 ' CE1' HG22 ' B' ' 69' ' ' VAL . 0.6 OUTLIER -89.77 -22.13 22.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.509 ' O ' HG23 ' B' ' 46' ' ' VAL . 32.1 tt0 -55.99 -24.94 41.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.195 0.522 . . . . 0.0 110.983 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.54 -49.9 73.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.051 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.81 -5.13 81.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.062 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 30.4 mt -95.1 16.72 15.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.557 -0.379 . . . . 0.0 111.369 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 42' ' ' GLU . 54.3 t -96.18 -41.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.107 -0.371 . . . . 0.0 111.661 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 57' ' ' LEU . 9.6 m-70 -69.62 0.47 5.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.586 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 5.3 m-20 -112.2 1.93 16.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 88.75 22.59 38.86 Favored Glycine 0 C--N 1.319 -0.405 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.824 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.509 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 43.8 m95 -85.6 40.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.737 0.78 . . . . 0.0 109.319 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.21 -29.38 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.338 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 41.9 t0 -114.77 127.25 55.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.87 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.1 -20.99 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.532 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.56 -41.26 94.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 0.0 110.094 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -77.67 -28.04 51.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -15.83 61.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.594 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -79.35 -8.4 59.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.052 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.83 18.11 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.882 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.8 tt -75.57 150.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.317 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.5 p -112.73 173.91 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.06 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -67.44 -26.08 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.65 -55.77 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.047 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -52.91 -42.07 65.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.477 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.428 HD21 HD22 ' B' ' 78' ' ' LEU . 21.9 mt -54.46 -60.26 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.36 -37.29 2.21 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 45.8 mt-10 -59.34 -34.7 72.68 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.4 -0.68 42.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 0.0 111.53 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.64 4.38 37.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.299 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.456 HG22 ' CE1' ' B' ' 41' ' ' TYR . 2.7 t -85.81 63.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.0 110.073 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -98.79 49.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.356 0.598 . . . . 0.0 110.533 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 7.5 t70 -136.28 131.8 18.75 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.486 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.25 -53.68 5.48 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.964 2.443 . . . . 0.0 113.202 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.85 92.9 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 56.2 m170 -57.96 -45.92 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.338 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -56.5 -51.69 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.43 -43.87 79.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 2.0 tt -61.75 -45.9 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.03 -40.87 86.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.71 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.31 -38.82 88.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.425 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -65.28 -35.19 80.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 95.1 mt -55.99 -45.9 78.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.41 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -67.48 -44.72 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.491 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.684 0.278 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.22 -37.58 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.778 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -44.25 93.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 23.3 mt-10 -59.64 -32.32 70.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.301 0.572 . . . . 0.0 111.331 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -77.17 -29.31 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.878 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.8 -24.42 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.48 -41.86 45.69 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.631 -179.385 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -32.35 65.38 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.599 HG21 ' OG ' ' A' ' 67' ' ' SER . 11.9 pt -99.16 1.23 10.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.62 49.19 5.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.691 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mmt -131.84 42.67 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -62.48 -24.95 67.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -73.01 -0.91 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.532 -0.73 . . . . 0.0 112.452 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.42 -2.85 51.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.705 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.48 -40.21 96.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.466 0.651 . . . . 0.0 109.486 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -87.72 44.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.939 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -154.25 -54.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.111 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.37 -40.07 89.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.464 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.1 mtt -76.41 -15.41 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.287 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.76 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.334 0.588 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.83 0.72 54.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.89 -8.16 53.83 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.941 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -89.13 74.6 8.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.409 0.623 . . . . 0.0 109.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.02 5.75 50.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.008 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -150.16 155.43 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.565 0.221 . . . . 0.0 110.722 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.36 -42.25 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -61.74 -28.66 69.59 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.204 -178.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 38' ' ' ALA . 11.4 mttp -84.36 -31.63 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.429 . . . . 0.0 110.014 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.5 t -62.48 -37.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -75.31 -7.66 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.649 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 77.7 mt-30 -85.97 -25.21 26.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.302 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.1 ptp -70.62 179.99 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.061 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -140.84 178.86 7.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -52.39 -43.31 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.3 -42.66 91.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.804 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 3.5 m-20 -53.11 -47.2 68.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.942 0.401 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.866 HD11 ' CD1' ' A' ' 68' ' ' LEU . 96.1 mt -54.01 -42.23 53.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 C-N-CA 123.907 0.883 . . . . 0.0 111.014 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -79.73 -18.89 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -84.91 -40.16 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.727 0.299 . . . . 0.0 110.721 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 49' ' ' ASP . 17.9 pt -80.8 16.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 111.499 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.83 -125.25 6.24 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.829 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t 39.19 61.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.385 0.697 . . . . 0.0 111.998 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -22.32 63.03 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 57' ' ' LEU . 17.3 mt -75.88 125.95 87.61 Favored Pre-proline 0 N--CA 1.464 0.257 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.54 -42.79 51.15 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.137 2.558 . . . . 0.0 113.174 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.536 ' HA3' ' CB ' ' B' ' 48' ' ' ASN . . . -68.38 -29.16 73.01 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.757 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -69.16 -34.89 75.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -67.97 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.534 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -40.03 -44.14 1.69 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.209 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' A' ' 22' ' ' ILE . 39.4 ttm180 -59.74 -49.54 77.32 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.307 0.575 . . . . 0.0 110.125 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.09 -43.63 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.454 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.23 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.93 -45.25 78.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 122.175 0.988 . . . . 0.0 109.046 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.599 ' OG ' HG21 ' A' ' 22' ' ' ILE . 9.4 m -71.43 -17.52 62.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.482 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.866 ' CD1' HD11 ' A' ' 50' ' ' ILE . 24.8 mt -83.3 -37.05 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.69 -44.02 85.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.49 -44.23 98.27 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.0 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.85 -42.42 93.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.706 0.289 . . . . 0.0 110.686 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 75' ' ' VAL . 77.7 mttt -63.87 -47.19 81.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.277 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.6 -39.76 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.741 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.6 p -91.42 -11.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.439 . . . . 0.0 110.646 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -91.95 -24.02 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.976 -179.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -55.16 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.66 40.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.065 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TRP . . . . . 0.474 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 41.2 t90 -78.14 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.988 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.474 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 15.5 mt -57.15 -28.83 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.554 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 3.3 ttp-105 -53.66 -15.89 1.39 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 177.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -35.91 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 109.821 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 pt -124.01 25.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.31 45.77 44.44 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.85 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -121.21 17.15 11.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.993 0.397 . . . . 0.0 111.797 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.554 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 4.8 pm0 -63.84 -18.57 64.28 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.818 0.342 . . . . 0.0 111.512 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 40' ' ' ARG . 26.6 mtm180 -71.05 -1.56 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -112.63 -11.56 13.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -48.17 -58.99 3.76 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -45.16 -39.9 6.58 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.455 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.14 92.9 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -72.89 -41.45 64.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.463 0.173 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.73 -33.39 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -63.35 -14.88 54.76 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 111.575 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' HA3' ' A' ' 59' ' ' GLY . 95.9 m-20 -113.97 11.96 17.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 10.79 80.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.253 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.56 48.57 1.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.41 0.624 . . . . 0.0 109.678 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -105.77 -12.22 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.575 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -88.65 112.66 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.64 -30.04 66.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -73.08 -52.48 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.707 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -19.61 62.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.799 0.333 . . . . 0.0 110.185 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.69 -17.66 61.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -73.1 -13.02 61.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -106.74 20.35 19.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.67 0.748 . . . . 0.0 109.668 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.7 tt -78.28 147.9 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.934 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.1 p -107.24 165.68 11.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.864 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' B' ' 75' ' ' LYS . 5.7 tt0 -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' B' ' 65' ' ' GLU . 26.5 mt-10 -75.68 -41.14 54.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.067 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.02 -47.92 67.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.88 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.464 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 91.0 mt -52.79 -54.21 37.42 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 110.044 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.476 ' HG3' ' HG2' ' B' ' 70' ' ' GLN . 2.1 tt0 -45.07 -46.78 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.355 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.84 -14.7 63.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.954 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.67 1.74 53.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 110.525 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.16 -15.0 36.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.408 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 8.5 t -85.85 74.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.23 0.538 . . . . 0.0 110.122 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.476 ' HG2' ' HG3' ' B' ' 65' ' ' GLU . 46.0 mt-30 -90.86 -16.28 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.12 129.12 93.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.711 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.38 -47.2 17.72 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.183 2.588 . . . . 0.0 113.539 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.8 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.213 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -59.03 -46.26 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' B' ' 61' ' ' GLU . 49.7 mtmt -61.34 -49.18 78.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.0 0.429 . . . . 0.0 109.976 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -55.44 -46.83 76.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.9 -45.8 93.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.466 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.452 HD13 HD22 ' B' ' 64' ' ' LEU . 0.5 OUTLIER -59.85 -46.65 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.748 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mp -57.43 -37.22 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.915 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 -36.96 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 110.45 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -35.67 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.245 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.17 -40.9 91.58 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -67.57 -45.48 75.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.215 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 CA--C 1.531 0.236 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.357 179.404 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.952 0.406 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.426 ' H ' HG23 ' A' ' 15' ' ' VAL . 2.2 t -48.92 -35.15 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.926 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.68 83.76 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.603 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.47 -38.8 88.6 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.3 0.375 . . . . 0.0 111.227 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.644 ' O ' HG12 ' A' ' 22' ' ' ILE . 15.4 t90 -67.64 -54.3 20.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.235 0.541 . . . . 0.0 109.943 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 28' ' ' THR . 13.1 mt -58.65 -32.56 69.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.269 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.27 -33.43 24.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -67.21 -33.33 75.14 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 18' ' ' TRP . 25.9 pt -89.46 8.91 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.272 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.09 29.13 14.21 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.179 178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.5 mmt -103.09 21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -33.25 -58.4 0.39 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.241 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -59.12 -12.39 4.97 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.586 ' CE1' HG22 ' A' ' 55' ' ' VAL . 11.3 m-85 -82.83 -33.17 27.22 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.395 -0.816 . . . . 0.0 111.925 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.513 ' HA ' HD13 ' A' ' 19' ' ' LEU . 2.2 m -40.86 -38.79 1.0 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.32 0.581 . . . . 0.0 112.357 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.82 -52.64 64.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.018 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -72.27 -36.29 68.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.269 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.37 -62.72 1.52 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.773 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.7 mtt -57.06 -33.86 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.792 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.36 -27.8 66.57 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.83 15.15 7.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.004 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.3 -12.46 62.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.837 -0.697 . . . . 0.0 114.416 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -88.48 60.0 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.784 0.792 . . . . 0.0 110.55 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -25.33 36.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.228 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -118.8 144.86 46.06 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -43.44 -50.96 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 115.025 -0.988 . . . . 0.0 113.633 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -51.68 -32.12 28.5 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -87.74 -32.01 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.496 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 38' ' ' ALA . 97.3 t -64.85 -36.58 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.6 -9.53 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.326 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 74.7 mt-30 -81.53 -58.17 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.5 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.524 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -46.56 116.1 1.21 Allowed 'General case' 0 C--O 1.233 0.202 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -70.42 -152.57 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.956 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -77.16 -38.01 52.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.76 -55.84 22.73 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' HB2' ' HB2' ' A' ' 45' ' ' MET . 4.0 m-20 -50.72 -43.36 57.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.674 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.047 HD11 HD12 ' A' ' 68' ' ' LEU . 95.6 mt -51.66 -51.38 27.0 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 121.809 0.814 . . . . 0.0 110.996 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -68.6 -31.77 71.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.876 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 ttp85 -72.81 -54.33 9.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.0 pt -43.98 -27.61 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.35 39.38 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 119.919 -1.134 . . . . 0.0 113.401 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.586 HG22 ' CE1' ' A' ' 27' ' ' TYR . 67.4 t -120.26 102.5 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -106.48 -12.96 15.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.695 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' B' ' 47' ' ' HIS . 50.5 mt -78.29 125.95 84.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.07 -40.24 72.38 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.439 2.092 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' B' ' 48' ' ' ASN . . . -62.35 -42.89 99.69 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.7 -0.682 . . . . 0.0 113.797 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.534 ' CE1' HD12 ' A' ' 57' ' ' LEU . 52.2 m170 -71.34 -19.4 62.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.902 0.851 . . . . 0.0 109.564 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.489 ' HG3' HG12 ' A' ' 55' ' ' VAL . 24.7 mt-30 -75.81 -5.06 44.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.186 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -112.13 -41.14 4.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.203 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -56.58 -40.35 75.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.437 178.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.3 mt -80.74 -49.01 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.3 -51.51 69.07 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -54.99 -54.18 46.19 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.172 0.51 . . . . 0.0 110.511 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.52 ' CB ' ' HE1' ' A' ' 18' ' ' TRP . 11.9 m -61.38 -37.91 85.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.326 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.047 HD12 HD11 ' A' ' 50' ' ' ILE . 11.7 mt -59.65 -41.03 89.63 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.435 0.159 . . . . 0.0 110.694 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 76.2 mt -56.29 -42.19 77.14 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.75 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.26 -47.41 85.15 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.391 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.59 -43.85 93.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -61.66 -36.45 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.604 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.1 -36.92 39.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.713 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -58.97 -44.22 91.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.248 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.2 p -71.88 -17.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.726 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.83 -19.16 29.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.8 m -81.82 83.0 7.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.435 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 78' ' ' VAL . 3.1 m . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.423 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.0 38.33 1.86 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 111.851 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -66.99 -59.86 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.266 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.24 -23.24 61.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.146 0.498 . . . . 0.0 110.431 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.748 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.45 -21.65 64.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.132 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -61.09 -47.24 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.665 0.269 . . . . 0.0 111.211 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.02 -33.85 67.6 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.611 HD13 ' OG1' ' B' ' 81' ' ' THR . 11.7 pt -95.63 -12.81 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 37.37 8.51 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.549 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' B' ' 41' ' ' TYR . 3.4 mp -123.06 4.9 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' B' ' 40' ' ' ARG . 10.3 pm0 -43.89 -38.95 3.65 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.673 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' B' ' 39' ' ' GLU . 46.7 mtm180 -65.62 -7.7 16.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.416 ' CD2' ' HG ' ' B' ' 38' ' ' LEU . 92.2 m-85 -96.5 -35.45 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 118.706 -0.664 . . . . 0.0 111.625 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -12.53 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 124.543 1.152 . . . . 0.0 113.436 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -31.16 -30.84 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.01 -35.66 64.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.375 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 mp -91.23 16.1 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.52 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 74.2 t -101.69 -36.92 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.777 ' HA ' HD13 ' A' ' 57' ' ' LEU . 19.0 m170 -72.05 -1.64 15.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.213 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.408 ' CG ' ' HA3' ' A' ' 59' ' ' GLY . 2.0 m120 -116.15 -7.38 11.86 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.77 10.42 57.76 Favored Glycine 0 C--O 1.227 -0.343 0 C-N-CA 120.497 -0.859 . . . . 0.0 113.675 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.598 ' HB3' HD13 ' B' ' 56' ' ' LEU . 67.0 m95 -98.35 22.91 9.04 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.218 -0.578 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.52 ' HB3' ' HA ' ' B' ' 46' ' ' VAL . 9.7 p-10 -85.32 26.88 0.85 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.401 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' B' ' 54' ' ' GLU . 0.2 OUTLIER -142.97 129.47 20.13 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.204 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.0 20.48 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' B' ' 52' ' ' ASP . 23.6 mm-40 -90.18 -40.36 12.25 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.335 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.7 -12.96 7.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.458 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' B' ' 50' ' ' TRP . 27.5 tp -68.82 -23.66 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.401 0.62 . . . . 0.0 109.846 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -10.61 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.428 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -128.85 29.72 5.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 109.936 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 tt -71.07 151.48 8.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.592 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -105.37 168.35 9.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.102 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.31 -23.49 64.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.29 -45.66 46.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.291 0.567 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.89 16.46 0.53 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.62 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -103.26 -55.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.588 0.232 . . . . 0.0 111.435 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -46.23 -32.8 3.25 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -63.11 -28.67 70.23 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.26 4.91 40.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.263 0.554 . . . . 0.0 110.607 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.0 -13.01 57.59 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB3' ' B' ' 74' ' ' HIS . 2.6 t -82.33 64.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.137 0.494 . . . . 0.0 109.878 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -90.24 -28.2 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.181 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.86 136.94 87.23 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.964 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.7 -46.36 30.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.663 2.908 . . . . 0.0 113.713 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.89 96.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.882 0.372 . . . . 0.0 111.228 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.438 ' HB3' HG13 ' B' ' 69' ' ' VAL . 49.1 m80 -66.43 -43.69 84.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.133 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -62.63 -46.59 87.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.049 0.452 . . . . 0.0 109.928 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -61.73 -35.53 78.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.859 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -46.74 80.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.708 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.97 -37.19 86.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.93 -30.58 71.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.127 0.489 . . . . 0.0 110.061 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -68.98 -39.33 79.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.727 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.611 ' OG1' HD13 ' B' ' 36' ' ' ILE . 1.3 m -64.83 -26.83 68.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.693 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' B' ' 86' ' ' LYS . 91.5 mt -63.45 -26.91 68.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.979 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -107.07 -25.1 11.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.14 -56.47 5.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.994 0.426 . . . . 0.0 110.315 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.3 m -92.43 -43.79 9.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.915 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' B' ' 82' ' ' LEU . 15.5 tttm . . . . . 0 C--O 1.251 1.132 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.228 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.799 0.333 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 37' ' ' THR . 91.7 t -62.86 -35.52 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.648 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -45.36 94.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.238 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 28.8 mt-10 -63.59 -33.77 76.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.638 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -71.72 -43.86 65.14 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.39 -32.19 69.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -71.03 -30.32 66.49 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.011 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -55.95 -42.23 75.88 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.189 0.306 . . . . 0.0 111.187 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -2.98 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 24.5 mmtp 64.08 26.95 14.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.803 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mmt -108.95 32.61 4.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -62.45 -21.46 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.581 -1.19 . . . . 0.0 113.392 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -78.06 15.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.696 -0.627 . . . . 0.0 111.689 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -119.18 3.14 11.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.603 0.24 . . . . 0.0 110.885 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 32' ' ' MET . 5.4 m -62.18 -31.09 71.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.23 0.538 . . . . 0.0 110.393 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.61 -45.39 89.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.397 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -71.04 -38.41 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.19 -48.15 76.94 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.344 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.457 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 36.1 mmt -64.55 -34.72 78.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.23 -38.4 71.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.283 . . . . 0.0 111.47 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -9.17 49.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.406 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.58 2.79 58.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.59 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -95.86 69.99 2.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.637 0.732 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.584 ' O ' HG21 ' A' ' 15' ' ' VAL . 2.1 p -77.74 -68.65 0.6 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.862 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' H ' ' HD3' ' A' ' 41' ' ' LYS . . . -85.75 169.21 13.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 112.169 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.3 mm -50.7 -48.28 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 114.986 -1.006 . . . . 0.0 113.312 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.9 mp0 -53.7 -39.48 65.23 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.802 0.334 . . . . 0.0 111.808 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HD3' ' H ' ' A' ' 38' ' ' ALA . 2.9 mptp? -74.34 -33.89 63.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.4 . . . . 0.0 110.664 -179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 45' ' ' MET . 99.4 t -68.53 -41.49 83.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 71' ' ' LEU . 22.5 m -77.03 -7.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -89.32 -22.03 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.695 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 13.7 ptp -65.87 179.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.355 0.598 . . . . 0.0 111.405 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -136.25 178.03 7.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.611 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -56.53 -44.17 80.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.564 0.221 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.08 -37.94 75.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 53' ' ' ILE . 4.3 m-20 -60.33 -41.71 94.11 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.695 ' CD1' ' SD ' ' A' ' 45' ' ' MET . 47.8 mm -60.74 -25.99 36.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.295 0.569 . . . . 0.0 110.993 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -91.02 -15.41 29.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -99.14 -23.42 15.25 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.523 0.202 . . . . 0.0 111.449 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 49' ' ' ASP . 36.8 pt -72.32 9.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.815 0.341 . . . . 0.0 111.918 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.74 0.41 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.702 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 60' ' ' HIS . 38.6 t -39.03 108.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -108.63 -8.06 15.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.109 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.549 HD13 ' O ' ' B' ' 47' ' ' HIS . 25.4 mt -79.36 128.25 76.08 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.11 -47.93 18.18 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.043 2.495 . . . . 0.0 113.243 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.78 -39.62 98.19 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.713 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.424 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 0.5 OUTLIER -66.36 -32.3 73.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.493 0.664 . . . . 0.0 109.373 179.369 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.602 ' HG2' HG22 ' A' ' 50' ' ' ILE . 34.2 mt-30 -72.0 -58.43 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.061 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -38.8 -47.53 1.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.398 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -55.37 35.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.272 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG21 HD12 ' A' ' 50' ' ' ILE . 72.7 mt -56.6 -44.35 80.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.609 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.022 0.439 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.71 -51.04 71.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -67.53 -26.94 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.786 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.684 HD11 HD11 ' A' ' 50' ' ' ILE . 11.5 mt -65.77 -34.05 77.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.2 -41.39 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.66 -41.61 97.66 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.859 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.538 ' HB3' HG12 ' A' ' 43' ' ' VAL . 6.8 mt -60.31 -43.78 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.696 0.284 . . . . 0.0 111.451 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' O ' HG12 ' A' ' 75' ' ' VAL . 85.4 mttt -68.25 -40.8 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.22 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.432 . . . . 0.0 110.112 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -58.75 -45.21 90.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.623 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.2 p -71.27 -10.38 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -100.49 -6.93 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.956 0.407 . . . . 0.0 110.337 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 m -91.16 126.29 36.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.83 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.779 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -145.29 26.85 1.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.766 0.317 . . . . 0.0 110.708 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -53.28 59.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.46 -36.22 61.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.738 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -66.53 -51.03 60.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.517 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 71.6 mt -83.56 31.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.612 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -111.28 2.29 17.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.51 -15.59 28.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.104 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.2 pt -131.31 15.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.145 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.86 52.96 24.01 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 115.287 -0.869 . . . . 0.0 113.368 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.88 16.26 10.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.051 0.425 . . . . 0.0 111.115 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -57.44 -20.21 28.9 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.725 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.12 -14.03 62.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.982 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -98.21 -17.87 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -41.56 -65.73 0.41 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -42.56 -39.27 2.25 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.41 -39.42 87.36 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.811 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.13 -55.92 7.19 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 64.0 t -46.1 -49.23 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.549 ' O ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -53.09 -47.12 68.79 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 120.615 0.245 . . . . 0.0 111.309 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.615 ' ND2' ' HA ' ' B' ' 67' ' ' ALA . 23.3 m-80 -62.0 -80.73 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.93 46.33 0.21 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.896 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -135.47 63.66 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.03 0.443 . . . . 0.0 110.343 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -96.91 -4.9 39.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.205 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -128.89 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.436 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -87.31 -18.71 29.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -72.93 -20.95 60.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -101.24 -15.7 17.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.0 tp -65.15 -20.03 66.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -10.66 60.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -107.72 22.14 16.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.152 0.501 . . . . 0.0 110.195 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 tt -79.61 152.23 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.416 ' H ' ' HB2' ' B' ' 63' ' ' ASP . 79.7 p -121.97 172.8 7.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.95 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.68 -32.47 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.33 -47.76 69.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.59 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.416 ' HB2' ' H ' ' B' ' 60' ' ' THR . 6.3 m-20 -53.29 -49.0 67.88 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.246 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 15.7 mt -54.29 -54.39 40.91 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.03 -48.62 11.66 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.385 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -66.12 -25.21 66.88 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.615 ' HA ' ' ND2' ' B' ' 48' ' ' ASN . . . -84.42 -6.93 59.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.72 -15.7 21.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.578 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.9 t -86.47 81.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.135 0.493 . . . . 0.0 110.009 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.44 -16.85 20.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.986 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.7 126.89 93.19 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.06 -49.87 15.6 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.31 2.673 . . . . 0.0 113.261 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -49.38 77.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.474 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -60.88 -41.88 96.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -62.95 -54.41 38.89 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.051 0.453 . . . . 0.0 110.035 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -55.28 -45.33 76.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.881 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.82 -48.89 72.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.189 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.5 -44.19 96.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.647 0.26 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.04 -44.71 79.08 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.06 -42.67 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.455 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -61.95 -31.05 71.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.017 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.49 -45.58 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.392 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -67.82 -47.68 68.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.081 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.1 -47.64 80.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.782 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -79.18 -35.38 41.98 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.415 -179.663 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.769 0.319 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.25 -38.76 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.814 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.48 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.601 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 54.1 mt-10 -61.67 -32.16 72.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.468 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -74.09 -37.89 64.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -80.05 -31.86 39.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.083 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 12.6 pt-20 -75.34 -37.23 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.01 -0.431 . . . . 0.0 111.878 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -56.45 -37.95 70.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.669 HG21 ' OG ' ' A' ' 67' ' ' SER . 12.4 pt -92.66 -0.36 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.215 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp 66.56 44.99 2.16 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.353 0.597 . . . . 0.0 112.133 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.4 mmt -127.71 26.81 5.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.77 -17.91 63.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.351 -1.295 . . . . 0.0 113.662 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -85.16 -3.95 58.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 118.997 0.817 . . . . 0.0 110.497 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -95.91 -4.68 43.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.101 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -54.24 -43.3 70.77 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.713 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -55.52 -44.54 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.533 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -44.57 81.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 110.408 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -56.49 -51.06 69.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.665 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.9 mtt -66.46 -31.18 71.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.127 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.09 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.092 0.473 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.4 -15.48 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.876 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.8 -5.7 14.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.304 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -89.97 71.75 7.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.287 0.565 . . . . 0.0 110.085 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.13 0.92 56.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.023 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.451 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -151.12 157.89 43.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.07 -41.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 mp0 -57.45 -34.34 68.89 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.768 0.318 . . . . 0.0 111.096 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -80.3 -35.32 35.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.918 0.39 . . . . 0.0 110.047 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.3 t -60.61 -41.03 86.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.76 -9.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -84.35 -24.2 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.077 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 13.7 ptp -63.77 176.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.14 0.495 . . . . 0.0 111.299 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -129.15 169.16 15.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -56.74 -47.59 79.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.805 0.336 . . . . 0.0 111.515 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.83 -30.79 71.76 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.83 -29.24 68.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.634 0.254 . . . . 0.0 111.422 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.023 HD11 ' CD1' ' A' ' 68' ' ' LEU . 92.6 mt -61.75 -28.68 44.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.828 0.823 . . . . 0.0 110.966 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -89.88 -7.87 53.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.283 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -91.97 -38.33 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -73.92 23.1 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.82 -88.92 0.44 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.378 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -11.52 91.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.67 1.588 . . . . 0.0 114.798 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -92.29 -17.04 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.677 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 57' ' ' LEU . 21.1 mt -76.95 123.7 87.41 Favored Pre-proline 0 C--N 1.331 -0.217 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.347 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.32 -41.39 73.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.395 2.73 . . . . 0.0 113.549 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.69 -33.04 70.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.894 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -67.4 -32.93 74.16 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -69.59 -62.42 1.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.07 -0.968 . . . . 0.0 108.563 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.75 -50.89 0.86 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.198 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.409 HH22 ' C ' ' B' ' 49' ' ' GLY . 37.0 ttm180 -58.76 -52.72 64.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.099 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.8 mt -57.7 -44.43 85.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 O-C-N 123.233 0.333 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.48 87.79 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.319 0.581 . . . . 0.0 110.616 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -61.92 -44.7 96.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.739 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.669 ' OG ' HG21 ' A' ' 22' ' ' ILE . 3.7 m -67.18 -27.98 67.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.651 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.023 ' CD1' HD11 ' A' ' 50' ' ' ILE . 16.0 mt -69.72 -40.08 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.126 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -55.89 -36.79 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 0.0 110.932 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.37 86.46 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.914 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.32 -42.05 94.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.563 0.221 . . . . 0.0 111.478 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -64.9 -39.88 94.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.51 -41.66 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.26 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -65.71 -29.89 70.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.582 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 p -85.91 -12.21 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.678 . . . . 0.0 109.757 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -92.28 -8.96 43.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.955 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.5 m -76.6 114.72 15.65 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.093 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.763 -179.823 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -142.01 29.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.977 0.388 . . . . 0.0 111.317 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' B' ' 34' ' ' ARG . 0.7 OUTLIER -59.3 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.21 -27.83 69.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.208 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -73.0 -41.37 64.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.752 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' B' ' 42' ' ' GLU . 38.0 mt -74.7 -21.92 59.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.643 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.519 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -57.96 -19.97 34.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.059 178.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.37 -38.94 75.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 pt -119.54 21.96 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.81 45.94 31.53 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.178 -0.919 . . . . 0.0 113.513 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.37 16.61 13.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.83 0.315 . . . . 0.0 111.254 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.519 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 6.8 pm0 -51.1 -28.02 9.64 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 -61.84 -19.15 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 111.724 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.87 -24.09 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.473 ' O ' HG23 ' B' ' 46' ' ' VAL . 53.5 tt0 -51.26 -35.16 35.94 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.88 0.371 . . . . 0.0 111.262 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -56.24 -50.53 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.375 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.04 -28.15 65.06 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.684 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.21 -53.55 29.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.773 0.286 . . . . 0.0 110.45 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 42' ' ' GLU . 84.3 t -46.0 -38.3 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -17.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 111.48 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.514 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 4.9 m-20 -110.82 9.58 22.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.255 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.409 ' C ' HH22 ' A' ' 63' ' ' ARG . . . 74.4 19.0 79.95 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.755 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -92.28 39.85 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.422 ' HB3' HG22 ' B' ' 46' ' ' VAL . 12.5 p-10 -98.64 6.56 46.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -108.72 120.27 41.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.175 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.48 -26.78 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.868 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.89 -52.02 65.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.381 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.16 -25.54 47.32 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.282 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -65.94 -20.4 66.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.06 0.457 . . . . 0.0 110.297 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -66.64 -14.77 62.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.112 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -128.89 38.21 3.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.339 0.59 . . . . 0.0 110.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.6 tt -84.51 141.21 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.466 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 2.1 p -94.93 164.12 13.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.79 -36.99 86.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.948 0.404 . . . . 0.0 110.333 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.78 -49.9 75.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.32 -41.4 84.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 33.6 mt -54.24 -58.0 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.601 0.238 . . . . 0.0 110.747 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -45.6 -40.47 8.91 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.833 178.25 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 3.5 tm-20 -64.48 -28.65 69.81 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.355 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.81 2.06 47.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.415 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.92 -3.96 31.96 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.997 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.7 t -84.34 61.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.443 0.64 . . . . 0.0 110.053 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -92.52 46.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.416 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -135.05 131.02 19.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.8 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.59 -55.77 3.03 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.221 2.614 . . . . 0.0 113.239 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.4 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.676 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -57.25 -47.69 80.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -63.92 -46.43 84.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.39 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 76' ' ' ARG . 12.5 tpt180 -58.22 -52.4 65.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.215 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.18 -42.47 98.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.964 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.44 -45.05 92.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.209 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.08 -39.38 81.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.77 -36.15 75.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.9 m -66.02 -34.13 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.654 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.546 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -83.07 -49.71 9.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.45 -59.23 5.68 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -80.36 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.377 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 tttm . . . . . 0 C--O 1.252 1.193 0 O-C-N 123.663 0.602 . . . . 0.0 110.232 -179.356 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 t -53.7 -44.0 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.025 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.208 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.51 -37.7 85.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.334 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.423 ' O ' HG12 ' A' ' 22' ' ' ILE . 47.5 t90 -66.04 -41.36 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.5 -20.58 62.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.787 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -81.17 -47.49 13.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.602 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -19.4 15.72 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 18' ' ' TRP . 2.7 pt -113.3 3.64 8.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 111.452 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp 57.25 46.56 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.744 -1.117 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.36 25.87 9.55 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.72 -9.99 58.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.018 -1.447 . . . . 0.0 111.572 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -83.81 8.21 15.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 109.795 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -119.54 5.24 11.09 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.624 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -60.82 -38.92 87.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.557 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 47.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.729 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -150.94 -51.79 0.13 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.44 -40.12 77.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.751 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.474 ' SD ' HG22 ' A' ' 37' ' ' THR . 26.0 mmt -62.21 -40.93 97.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.697 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.13 -30.53 65.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.743 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.84 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.26 -5.43 52.46 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.098 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -89.38 78.96 7.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.196 0.522 . . . . 0.0 109.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.474 HG22 ' SD ' ' A' ' 32' ' ' MET . 3.1 p -103.32 2.97 34.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.505 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB3' ' CD ' ' A' ' 41' ' ' LYS . . . -145.45 149.49 34.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.62 -39.98 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 112.254 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -38.83 71.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.566 0.222 . . . . 0.0 111.42 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 38' ' ' ALA . 1.1 mptp? -79.04 -36.12 41.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.897 0.38 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.539 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -58.33 -42.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.289 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.34 -9.0 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.703 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -84.13 -25.81 29.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.281 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 16.8 ptp -64.09 177.87 0.74 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.06 0.457 . . . . 0.0 111.568 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 174.6 10.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.905 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -54.98 -46.65 75.13 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.86 -31.54 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.814 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -34.35 75.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.039 0.447 . . . . 0.0 110.946 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 68' ' ' LEU . 92.7 mt -58.48 -33.27 47.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.747 0.784 . . . . 0.0 110.984 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -79.0 -16.52 56.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.259 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 ttt85 -92.6 -30.48 15.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 0.0 111.261 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.6 pt -72.97 -0.29 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.0 2.46 23.6 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.209 -0.996 . . . . 0.0 114.683 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.12 82.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 117.821 0.81 . . . . 0.0 110.394 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.09 -17.12 57.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.683 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' B' ' 47' ' ' HIS . 71.6 mt -78.71 118.03 69.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.672 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -60.49 -36.0 88.11 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.202 2.601 . . . . 0.0 113.962 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -69.55 -30.85 70.8 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.284 -0.96 . . . . 0.0 110.767 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -74.15 -32.71 63.24 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.67 -71.17 0.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.728 -1.123 . . . . 0.0 109.703 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -40.4 -41.44 1.39 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.032 0.833 . . . . 0.0 112.475 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -52.29 64.36 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.062 0.458 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.01 -46.95 92.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.495 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.54 -49.68 61.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.752 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.759 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.5 m -69.5 -28.51 66.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.607 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' CD1' HD11 ' A' ' 50' ' ' ILE . 75.9 mt -69.25 -30.33 68.44 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.093 0.473 . . . . 0.0 110.534 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.65 -45.62 93.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.173 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.66 92.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.893 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.72 -48.83 75.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -60.45 -44.37 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.937 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -35.85 78.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.709 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -66.81 -42.17 86.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.25 -13.31 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.247 0.546 . . . . 0.0 110.349 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -99.38 -4.03 32.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.418 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.4 m -84.36 132.15 34.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.271 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -134.12 19.46 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.536 0.208 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.68 -57.54 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.961 0.41 . . . . 0.0 110.336 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.789 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -69.05 -35.42 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.111 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' B' ' 42' ' ' GLU . 35.6 mt -84.27 -16.96 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.652 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -65.22 -12.55 52.54 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.358 0.599 . . . . 0.0 109.944 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.63 69.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.088 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -128.17 19.73 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.074 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.57 42.59 58.17 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.345 -0.843 . . . . 0.0 113.397 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.37 17.44 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.949 0.374 . . . . 0.0 111.456 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 pm0 -54.22 -20.32 6.73 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.505 ' CE2' HG22 ' B' ' 69' ' ' VAL . 2.6 m-85 -91.81 -26.01 18.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.745 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.4 ' HB2' HD12 ' B' ' 33' ' ' LEU . 51.3 tt0 -42.9 -63.84 0.73 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -40.87 -40.79 1.45 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.768 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.56 -34.24 63.35 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.481 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 9.8 mt -80.61 24.83 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.646 0.378 . . . . 0.0 111.662 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.55 -21.01 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.296 0.569 . . . . 0.0 110.397 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.426 ' HA ' HD13 ' A' ' 57' ' ' LEU . 29.6 m-70 -85.56 0.5 52.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.757 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.546 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 1.7 m120 -118.55 0.44 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.82 27.21 29.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.42 -0.895 . . . . 0.0 113.128 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 66.8 m95 -100.2 23.17 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.621 0.724 . . . . 0.0 109.309 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.5 27.28 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.546 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' B' ' 50' ' ' TRP . 31.4 t70 -147.41 121.83 9.69 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.295 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 45.8 mt -65.71 -33.41 75.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.428 ' HB2' ' OD2' ' B' ' 52' ' ' ASP . 48.9 mt-10 -61.61 -46.51 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.623 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.79 -40.16 63.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.781 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.43 -20.78 63.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -63.08 -22.66 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.97 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.78 24.89 11.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.345 . . . . 0.0 111.351 -179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.01 138.94 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 50.6 p -100.04 176.62 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.41 -23.25 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -70.32 -51.97 26.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.003 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 28.9 m-20 -53.02 -47.2 68.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.324 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.544 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 76.7 mt -47.03 -62.61 1.33 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -35.08 -36.73 0.06 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 7.7 mt-10 -53.25 -41.73 65.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.37 11.74 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.07 3.61 61.77 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.184 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 3.3 t -82.84 65.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.226 0.536 . . . . 0.0 109.992 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -100.01 -2.54 34.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.329 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -77.78 131.85 69.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.223 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.7 -49.53 14.43 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.051 2.501 . . . . 0.0 112.936 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.34 85.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -56.7 -46.48 81.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -62.48 -51.31 67.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 0.0 110.571 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' B' ' 76' ' ' ARG . 41.1 tpt85 -56.29 -48.67 76.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.629 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.72 -44.3 94.0 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -45.49 90.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.578 0.228 . . . . 0.0 110.65 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.78 -33.88 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -36.76 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.273 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -62.03 -32.78 73.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.715 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.368 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -79.76 -55.69 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.192 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp -52.14 -55.84 18.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m -77.54 -33.13 54.29 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.584 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.374 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.19 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 120.671 0.272 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.99 -41.78 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.814 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -51.81 67.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.6 -38.47 78.03 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.915 0.388 . . . . 0.0 111.211 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -72.08 -47.9 48.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.377 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.87 -26.45 62.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.12 -35.99 61.66 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.323 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -32.99 69.62 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.36 -1.54 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 67.73 33.84 4.71 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.574 0.546 . . . . 0.0 111.937 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.1 mmt -117.31 24.42 11.15 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -60.24 -19.93 56.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.077 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -78.13 2.76 16.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.534 -0.729 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -106.44 -2.97 21.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.668 0.27 . . . . 0.0 111.328 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -57.58 -29.8 64.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 29' ' ' GLU . 15.8 mt-10 -57.79 -47.9 81.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.259 179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -78.23 -36.08 47.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.896 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -54.2 -49.24 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.99 -30.75 62.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.39 -28.15 63.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.99 0.424 . . . . 0.0 110.723 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.71 -5.72 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.377 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.62 -0.86 52.77 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.217 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -94.14 75.11 4.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.399 0.619 . . . . 0.0 110.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.1 p -84.82 -72.39 0.48 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.47 152.36 45.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -56.93 -35.75 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.85 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -28.83 68.19 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.205 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -85.09 -36.68 21.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 45' ' ' MET . 68.1 t -62.67 -40.4 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.97 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG12 ' HB3' ' A' ' 71' ' ' LEU . 18.3 m -73.13 -12.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 44' ' ' GLN . 11.0 mm-40 -85.9 -18.63 32.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.3 ptp -66.75 -176.77 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.115 0.483 . . . . 0.0 111.374 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -144.26 -175.4 4.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -56.76 -46.19 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.925 0.393 . . . . 0.0 110.69 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.42 -43.31 75.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.634 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.76 -39.28 77.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.265 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.908 HD11 HD12 ' A' ' 68' ' ' LEU . 93.1 mt -56.15 -33.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 C-N-CA 123.108 0.563 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -87.12 -38.27 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.409 0.623 . . . . 0.0 109.971 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 ttt85 -62.7 -34.68 77.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.185 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.5 pt -76.11 2.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.98 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.09 -75.22 0.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.456 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.4 t -28.37 98.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -102.26 -1.72 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.375 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 32.8 mt -90.02 126.96 55.5 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.244 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.76 -50.68 9.81 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.57 2.846 . . . . 0.0 114.346 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.73 -38.42 96.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.934 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 19.2 m80 -65.97 -28.07 68.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.548 ' HG2' HG22 ' A' ' 50' ' ' ILE . 30.9 mt-30 -74.38 -59.18 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.055 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -33.92 -52.13 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.491 1.119 . . . . 0.0 112.553 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -56.01 24.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.116 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.7 -44.46 93.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.92 79.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.85 -49.44 76.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.152 0.501 . . . . 0.0 110.289 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -65.16 -29.63 70.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.979 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.908 HD12 HD11 ' A' ' 50' ' ' ILE . 8.8 mt -66.0 -38.1 87.62 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.799 0.333 . . . . 0.0 110.709 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.62 -37.45 78.66 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.14 -42.29 76.93 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.738 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.61 ' HB3' HG12 ' A' ' 43' ' ' VAL . 9.3 mt -62.29 -43.78 98.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.731 0.301 . . . . 0.0 111.042 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 75' ' ' VAL . 66.7 mttm -62.94 -41.67 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.378 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -38.93 79.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.98 0.419 . . . . 0.0 110.676 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -63.63 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.65 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.6 p -71.89 -11.77 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 121.141 0.495 . . . . 0.0 111.048 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.2 -5.26 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.469 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 m -84.76 129.24 34.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.431 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.659 -0.686 . . . . 0.0 110.635 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.633 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.82 18.95 2.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.894 0.378 . . . . 0.0 110.638 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -53.16 61.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.983 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.63 -32.15 28.01 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -75.33 -48.58 22.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.99 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.15 -35.54 75.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.305 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.407 ' HD2' ' OE2' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -51.68 -7.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 177.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.65 -22.21 51.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 109.988 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.472 HD13 ' OG1' ' B' ' 81' ' ' THR . 8.1 pt -132.7 22.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.642 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.08 49.22 37.22 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.812 -0.631 . . . . 0.0 113.46 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.13 17.79 10.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' B' ' 34' ' ' ARG . 12.4 pm0 -57.48 -21.11 35.3 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.74 -12.64 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.559 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.502 ' CE1' HG22 ' B' ' 69' ' ' VAL . 2.6 m-85 -95.16 -18.0 21.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -48.74 -59.96 3.12 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -45.16 -42.56 9.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.282 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.71 -42.81 53.24 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.241 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 73.5 mt -61.09 -52.52 64.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.047 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 99.2 t -51.82 -37.49 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -59.84 -55.63 31.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.684 0.278 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -55.33 -67.54 0.27 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.128 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 163.51 36.4 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.464 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 10.8 m95 -121.82 58.63 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -94.08 28.37 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.931 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -145.93 -173.13 4.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.007 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.93 -22.04 2.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.864 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -61.79 -58.5 7.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.155 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.42 0.02 56.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.465 . . . . 0.0 109.929 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.5 tp -75.97 -15.21 60.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.638 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -30.4 65.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.92 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -98.27 75.69 2.28 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.7 tt -133.32 148.72 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.312 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 41.0 p -110.17 172.95 6.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -64.49 -31.98 73.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.176 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.89 -47.32 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.754 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -55.67 -49.08 73.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.093 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.404 HD22 HD13 ' B' ' 78' ' ' LEU . 80.6 mt -55.23 -57.99 9.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.453 0.168 . . . . 0.0 110.957 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -36.64 7.47 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.006 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -60.17 -27.47 67.15 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.55 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.27 1.22 57.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.916 0.388 . . . . 0.0 111.191 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.22 12.36 29.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.795 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' B' ' 41' ' ' TYR . 4.6 t -93.12 66.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 0.0 110.184 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -87.31 -9.2 55.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -74.94 131.98 78.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.707 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.28 -43.72 13.78 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.882 2.388 . . . . 0.0 113.119 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -65.04 -42.45 94.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.9 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -62.1 -41.79 98.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -64.87 -54.29 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.13 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -53.77 -46.77 71.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.882 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -63.41 -44.51 94.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.132 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.404 HD13 HD22 ' B' ' 64' ' ' LEU . 0.5 OUTLIER -57.49 -50.0 74.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.693 0.283 . . . . 0.0 110.496 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 mp -55.46 -43.46 75.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.177 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.83 -39.84 83.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.955 0.407 . . . . 0.0 110.414 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.472 ' OG1' HD13 ' B' ' 36' ' ' ILE . 30.5 m -61.62 -38.64 88.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.383 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.58 -43.79 93.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -65.01 -46.59 80.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.132 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.05 -39.75 75.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.751 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 m -76.65 -43.63 37.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.935 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.29 0 O-C-N 123.805 0.691 . . . . 0.0 110.839 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.74 0.305 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -61.35 -33.25 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.516 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -51.16 69.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -63.99 -32.73 74.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.608 0.242 . . . . 0.0 111.251 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -64.5 -47.16 79.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.217 0.532 . . . . 0.0 109.705 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.9 mt -73.37 -8.32 55.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.21 -41.57 15.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.754 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.4 p -78.98 52.57 1.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -178.27 -15.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.504 1.122 . . . . 0.0 108.58 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HE3' ' OD2' ' B' ' 52' ' ' ASP . 71.1 mmtt 65.97 40.74 3.97 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.073 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.1 mmt -113.57 24.65 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.455 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -26.49 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.706 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -80.91 -8.38 59.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.217 0.917 . . . . 0.0 111.621 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -86.86 -3.52 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.766 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -63.13 -38.87 92.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.324 0.583 . . . . 0.0 109.709 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -83.33 49.67 1.61 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.413 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.03 -51.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.481 -1.236 . . . . 0.0 108.313 -178.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.83 -39.89 94.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 41.1 mtt -75.62 -9.05 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.436 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.05 -10.15 31.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.07 -3.97 40.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.697 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.62 -7.33 29.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.959 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -88.35 80.08 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 4.96 41.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.168 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.44 159.32 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 111.123 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.3 mm -56.51 -41.64 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -32.04 72.74 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.168 -0.333 . . . . 0.0 111.211 -178.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -80.32 -30.96 38.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.999 0.428 . . . . 0.0 110.1 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 38' ' ' ALA . 64.4 t -63.35 -38.44 82.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.805 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.04 -7.09 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.334 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -80.75 -28.88 36.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.611 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 14.0 ptp -68.64 -176.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -135.13 -177.56 4.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -57.86 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.12 -26.62 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' HB2' ' H ' ' A' ' 46' ' ' THR . 1.4 t70 -59.04 -39.77 83.03 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.092 0.472 . . . . 0.0 110.663 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.749 HD11 HD12 ' A' ' 68' ' ' LEU . 92.9 mt -59.03 -33.99 51.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 123.24 0.616 . . . . 0.0 111.024 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -78.89 -13.57 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.542 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -90.94 -39.06 12.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.953 0.406 . . . . 0.0 110.205 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 pt -78.47 16.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.863 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.22 -98.21 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.354 -0.927 . . . . 0.0 113.508 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -11.0 91.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.506 1.522 . . . . 0.0 114.725 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.05 -17.18 25.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 110.988 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' B' ' 47' ' ' HIS . 57.9 mt -82.09 125.48 77.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -60.49 -37.57 79.79 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.953 2.436 . . . . 0.0 112.746 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -68.91 -38.01 84.35 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.872 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -66.81 -29.81 69.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -67.12 -64.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.646 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -40.15 -45.06 1.94 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.15 0.906 . . . . 0.0 112.649 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.86 -53.68 55.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.413 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.96 -46.49 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.033 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.72 84.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.37 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -57.65 -48.34 79.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.61 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -77.45 -7.2 55.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.791 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.749 HD12 HD11 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -89.29 -40.84 12.54 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 110.032 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.77 -36.08 78.07 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.56 -46.94 93.45 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.714 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 mt -56.43 -44.09 80.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.733 0.267 . . . . 0.0 110.671 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -61.76 -44.23 97.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.2 -41.93 85.0 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.613 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -62.46 -39.7 94.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.754 0.312 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.74 -13.86 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.431 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -10.56 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.083 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.7 m -86.48 131.32 34.21 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.071 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 78' ' ' VAL . 1.2 m . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.284 -0.865 . . . . 0.0 111.492 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.344 -0.302 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -127.91 29.1 5.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.649 0.261 . . . . 0.0 111.092 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -53.0 62.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.418 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.55 67.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -68.44 -55.99 9.95 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.512 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.429 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 22.8 mt -61.38 -28.25 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.554 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 3.4 tpp180 -55.04 -21.92 14.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.626 0.371 . . . . 0.0 111.463 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.54 68.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.235 0.541 . . . . 0.0 110.372 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 pt -120.07 21.06 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.451 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.44 38.83 28.24 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.981 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' B' ' 41' ' ' TYR . 0.9 OUTLIER -115.52 16.57 16.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.255 0.527 . . . . 0.0 110.587 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.429 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -54.94 -27.63 44.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.593 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -70.31 -3.13 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.853 0.359 . . . . 0.0 111.841 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' B' ' 38' ' ' LEU . 3.4 m-85 -91.66 -19.65 22.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.347 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 46' ' ' VAL . 73.0 tt0 -53.9 -27.54 31.05 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.714 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.55 -47.1 85.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.045 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.31 -31.28 59.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.3 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.54 19.3 0.37 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 42' ' ' GLU . 2.9 t -101.9 -24.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.496 0.665 . . . . 0.0 110.253 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.461 ' HA ' HD13 ' A' ' 57' ' ' LEU . 25.1 m80 -75.7 -16.52 60.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.365 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.597 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.1 OUTLIER -101.15 -8.06 22.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.25 23.22 45.17 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.738 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.597 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 69.1 m95 -85.16 42.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.222 0.534 . . . . 0.0 110.08 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -7.98 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.64 0.734 . . . . 0.0 109.69 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.474 ' OD2' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -110.99 147.55 34.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.4 mt -89.99 -21.21 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.51 -57.32 10.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.556 0.217 . . . . 0.0 111.539 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -71.56 -24.61 61.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.29 -19.52 65.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.217 0.532 . . . . 0.0 110.076 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.5 m -72.78 -3.33 24.68 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.091 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.42 21.73 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.335 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 20.4 tt -71.31 130.65 35.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.327 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.3 p -96.63 173.16 7.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.47 -28.47 69.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' B' ' 65' ' ' GLU . 22.3 mm-40 -68.55 -49.19 61.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.476 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -54.99 -45.25 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.452 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 mt -56.48 -62.2 1.88 Allowed 'General case' 0 N--CA 1.461 0.096 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 1.7 pp20? -46.16 -36.93 6.4 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.21 -33.97 71.61 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 111.508 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.57 4.81 34.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.1 -14.34 51.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.497 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.57 75.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.0 109.86 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.4 -4.44 26.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 11.2 t70 -73.29 131.14 83.38 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.78 -53.21 6.42 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.46 2.774 . . . . 0.0 113.825 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -44.39 88.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.572 0.225 . . . . 0.0 111.58 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 32.9 m170 -60.39 -41.84 94.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.3 -51.07 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.062 0.458 . . . . 0.0 110.237 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -55.83 -46.38 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.236 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.55 -43.71 96.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.029 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -44.29 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -56.79 -37.4 71.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.963 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.71 -35.47 65.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.7 m -62.04 -32.66 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.575 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.6 -38.13 63.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.049 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -84.04 -54.91 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.75 -43.9 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 48.9 m -103.8 -22.47 13.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 33.0 mttm . . . . . 0 C--O 1.253 1.281 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.738 -179.256 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.75 0.31 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 t -52.18 -41.88 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.768 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.23 75.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.946 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 21.0 mt-10 -62.34 -43.81 97.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -66.29 -44.29 83.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 0.0 109.579 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.34 -28.51 69.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.825 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 1.6 pp20? -84.72 -38.72 19.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.042 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -53.35 -35.28 60.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.584 -0.446 . . . . 0.0 109.947 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.404 ' HA ' ' CE1' ' B' ' 55' ' ' PHE . 25.3 pt -93.59 3.91 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 59.98 40.25 19.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 120.9 0.381 . . . . 0.0 111.5 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.43 ' SD ' ' HE2' ' A' ' 27' ' ' TYR . 16.1 mmt -128.73 31.44 4.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.87 -12.32 61.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.156 -1.383 . . . . 0.0 113.474 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -80.34 1.2 29.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.656 -0.652 . . . . 0.0 111.451 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' HE2' ' SD ' ' A' ' 24' ' ' MET . 77.9 m-85 -106.46 2.92 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.206 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 m -59.78 -31.8 70.01 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.596 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.74 -44.75 93.65 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.765 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -73.0 -39.01 66.4 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -58.19 -47.85 82.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.539 0.685 . . . . 0.0 111.21 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.528 ' SD ' HG22 ' A' ' 37' ' ' THR . 18.3 mmt -68.28 -30.93 70.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.971 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.12 -20.09 42.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.558 0.218 . . . . 0.0 111.424 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.32 0.49 48.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 111.04 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.47 -10.05 64.88 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.854 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -88.55 75.44 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.493 0.663 . . . . 0.0 109.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.528 HG22 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -95.92 4.49 52.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.229 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -155.01 158.38 39.06 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.575 0.226 . . . . 0.0 110.545 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.22 -42.56 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.4 mp0 -56.02 -38.96 71.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.882 0.373 . . . . 0.0 111.316 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.64 -37.77 35.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.154 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 45' ' ' MET . 73.7 t -59.78 -43.52 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.242 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 34.7 m -75.17 -7.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 24.0 mt-30 -87.84 -22.52 24.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.617 0.246 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.0 ptp -66.92 177.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.364 0.602 . . . . 0.0 111.5 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 48' ' ' ASP . 12.1 t -133.96 178.7 6.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.408 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -55.41 -38.5 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 111.628 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' H ' HG23 ' A' ' 46' ' ' THR . 12.2 t70 -59.2 -39.45 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -58.71 -37.49 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.356 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.936 HD11 HD11 ' A' ' 68' ' ' LEU . 41.8 mm -58.13 -30.98 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 121.164 0.507 . . . . 0.0 111.016 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -89.82 -20.42 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.486 . . . . 0.0 110.731 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -82.25 -34.52 28.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.7 pt -73.21 -3.26 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.145 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.38 -82.42 0.31 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.019 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -19.37 97.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.05 1.34 . . . . 0.0 114.366 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.33 -6.77 30.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.826 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.473 HD23 ' HD2' ' A' ' 58' ' ' PRO . 3.5 mt -75.66 117.35 62.92 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' HD23 ' A' ' 57' ' ' LEU . 18.6 Cg_endo -58.55 -44.65 35.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.54 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -59.44 -43.42 97.47 Favored Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.133 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.8 -23.24 66.66 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 37.8 mt-30 -79.29 -11.44 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.846 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -91.77 -48.14 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.782 0.325 . . . . 0.0 110.569 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -36.15 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.512 HG21 HD12 ' A' ' 50' ' ' ILE . 87.1 mt -71.21 -43.94 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.065 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -61.0 -37.89 84.12 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.268 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -56.99 11.75 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.678 0.752 . . . . 0.0 110.684 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -66.05 -39.65 90.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.405 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.936 HD11 HD11 ' A' ' 50' ' ' ILE . 14.3 mt -53.5 -45.54 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.248 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.0 mt -58.86 -42.31 89.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.202 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.13 -44.17 96.12 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.805 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.45 -40.87 83.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 43' ' ' VAL . 97.0 mttt -66.74 -42.07 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.152 0.501 . . . . 0.0 110.022 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.08 -36.47 83.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.48 -41.14 98.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.836 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.2 p -74.01 -16.81 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.308 0.575 . . . . 0.0 110.623 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.94 -16.95 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.3 m -74.75 128.59 35.93 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.152 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.497 -0.764 . . . . 0.0 111.053 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.529 ' SD ' HD22 ' B' ' 56' ' ' LEU . 24.4 ptt? -131.68 20.54 4.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.977 0.417 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -56.61 19.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.244 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -25.1 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -74.65 -30.4 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.173 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.97 -23.25 28.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.654 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.511 ' HD2' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -52.55 -22.63 5.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 178.005 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.28 -37.55 72.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.757 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 pt -122.91 22.36 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.71 45.18 39.26 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.853 -0.612 . . . . 0.0 113.486 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.0 13.0 13.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.835 0.318 . . . . 0.0 111.348 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.511 ' CD ' ' HD2' ' B' ' 34' ' ' ARG . 11.4 pm0 -54.33 -25.51 24.38 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -68.59 -5.38 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -100.42 -19.62 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -45.47 -62.31 1.33 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.652 0.263 . . . . 0.0 111.705 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -43.58 -45.29 6.62 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.194 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.98 -31.36 75.15 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.88 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 2.8 mt -75.98 -58.37 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.504 0.192 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' B' ' 51' ' ' ASP . 41.9 t -29.83 -51.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -52.45 -33.29 43.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.54 ' HA ' ' C ' ' A' ' 59' ' ' GLY . 2.3 m-20 -94.97 16.79 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.94 46.18 4.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.111 -1.043 . . . . 0.0 112.418 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.409 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 79.2 m95 -129.74 31.39 4.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.6 0.714 . . . . 0.0 109.099 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.445 ' HB3' HG13 ' B' ' 46' ' ' VAL . 15.2 p-10 -87.83 -6.27 58.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.424 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -113.7 128.22 56.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.942 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.68 -32.37 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.282 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -19.1 62.11 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.199 0.523 . . . . 0.0 110.725 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.404 ' CE1' ' HA ' ' A' ' 22' ' ' ILE . 19.5 t80 -93.65 -34.57 13.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.794 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.529 HD22 ' SD ' ' B' ' 29' ' ' MET . 5.8 tp -67.9 -23.91 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.521 ' HA ' HD22 ' B' ' 82' ' ' LEU . 0.0 OUTLIER -70.19 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.347 . . . . 0.0 111.312 -179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -108.3 17.2 22.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 110.62 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -69.62 148.55 11.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.065 0.46 . . . . 0.0 110.582 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.4 p -102.6 170.22 8.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.07 -6.73 47.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.532 . . . . 0.0 109.957 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -100.88 -47.82 4.67 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.653 ' O ' ' HB2' ' B' ' 66' ' ' GLU . 5.5 m-20 -56.48 -28.08 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.437 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.419 HD21 HD22 ' B' ' 78' ' ' LEU . 11.6 mt -55.03 -50.88 67.96 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.406 -0.184 . . . . 0.0 110.929 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.15 -36.46 1.71 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.739 0.649 . . . . 0.0 111.934 177.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.653 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 0.2 OUTLIER -49.91 -36.89 29.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.68 9.37 30.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.26 -3.31 63.95 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.412 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.86 77.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.143 0.497 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.444 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 83.0 mt-30 -104.14 15.89 27.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -96.33 132.28 26.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.49 -48.66 14.47 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.095 2.53 . . . . 0.0 113.443 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.6 -46.99 83.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.577 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -59.62 -45.95 90.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.647 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.56 -51.36 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.964 0.411 . . . . 0.0 110.549 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -55.56 -46.07 77.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.285 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.83 -41.93 98.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.391 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.419 HD22 HD21 ' B' ' 64' ' ' LEU . 2.4 tt -61.44 -48.95 78.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.664 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.54 -40.85 79.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.372 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.38 -38.73 85.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.19 0.519 . . . . 0.0 110.357 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -66.44 -35.41 80.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.187 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 57' ' ' SER . 32.5 mt -54.01 -40.65 67.17 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-O 120.882 0.373 . . . . 0.0 111.014 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -76.8 -46.68 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.776 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.63 -54.78 42.47 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.8 m -80.88 -32.8 34.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 13.5 mttm . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.477 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.31 -47.38 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -45.2 87.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.914 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -62.16 -37.21 84.35 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.047 0.451 . . . . 0.0 110.288 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' NE1' ' HB2' ' A' ' 67' ' ' SER . 63.1 t90 -68.05 -46.26 71.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.823 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.94 -37.13 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.844 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.82 -40.6 97.88 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.51 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 pt -90.56 -0.99 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 O-C-N 122.127 -0.358 . . . . 0.0 110.938 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' HG3' ' CG ' ' B' ' 52' ' ' ASP . 71.7 mmtt 67.85 26.44 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.579 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 37.5 mmt -103.62 31.72 4.26 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.92 -35.55 58.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.23 -0.896 . . . . 0.0 113.315 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -73.81 -4.57 35.57 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 121.4 -0.813 . . . . 0.0 112.297 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 69.0 m-85 -92.95 1.59 57.22 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.724 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m -61.98 -32.68 73.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -83.68 46.34 1.15 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.898 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 50.2 m80 -155.24 -56.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.396 -1.274 . . . . 0.0 108.462 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -59.3 -45.68 90.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.267 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.511 ' SD ' HG22 ' A' ' 37' ' ' THR . 22.8 mmt -63.35 -33.4 75.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.94 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.59 -17.82 43.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 111.515 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.77 0.9 55.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.753 0.311 . . . . 0.0 111.381 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.72 -8.23 76.77 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.511 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -92.04 69.99 5.4 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.511 HG22 ' SD ' ' A' ' 32' ' ' MET . 15.6 p -82.04 -75.23 0.31 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.232 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . . . -69.22 153.25 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.926 0.393 . . . . 0.0 111.431 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.7 mm -54.85 -38.45 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 2.5 mp0 -59.34 -30.64 68.52 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.766 0.317 . . . . 0.0 110.901 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HE2' ' HB3' ' A' ' 38' ' ' ALA . 2.4 mppt? -83.56 -35.58 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 45' ' ' MET . 91.6 t -60.63 -39.63 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.857 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 71' ' ' LEU . 19.8 m -75.41 -11.77 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 76.6 mt-30 -85.36 -18.87 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.386 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.535 ' SD ' ' CD1' ' A' ' 50' ' ' ILE . 7.6 ptp -65.53 174.93 1.99 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.015 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 11.0 t -129.2 174.64 9.39 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -57.14 -43.93 82.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.843 0.354 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.88 -35.27 77.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' THR . 37.5 m-20 -56.91 -41.89 78.95 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 110.723 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.876 HD12 HG21 ' A' ' 64' ' ' ILE . 41.7 mm -56.43 -34.46 41.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-O 121.658 0.742 . . . . 0.0 110.962 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -85.72 -14.36 45.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.343 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -94.38 -30.52 14.44 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.369 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.2 pt -76.13 6.33 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.924 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.14 -82.04 0.31 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.054 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 27' ' ' TYR . 1.9 t -24.34 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -103.35 -5.33 23.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.759 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.1 mt -86.11 127.1 63.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.444 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.22 -46.24 35.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.746 2.964 . . . . 0.0 114.013 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.59 -38.81 78.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.238 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.402 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 37.9 m-70 -63.84 -31.97 73.33 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -69.69 -58.04 4.41 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.101 -0.954 . . . . 0.0 108.49 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -36.48 -51.68 0.83 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.896 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -58.25 7.84 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.876 HG21 HD12 ' A' ' 50' ' ' ILE . 56.7 mt -61.3 -49.66 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.621 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -55.36 -39.56 70.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.994 0.426 . . . . 0.0 110.709 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.98 -55.84 28.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.368 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.432 ' HB2' ' NE1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -58.42 -35.16 71.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.701 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 50' ' ' ILE . 33.4 mt -62.12 -39.73 93.52 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 45.3 mt -58.69 -39.84 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.271 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.32 89.69 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.508 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.451 ' HB3' HG12 ' A' ' 43' ' ' VAL . 26.6 mt -57.0 -45.77 82.79 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.631 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 75' ' ' VAL . 26.4 mttt -64.92 -40.91 95.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.485 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -65.45 -43.7 89.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -59.08 -45.13 91.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.797 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 72' ' ' LYS . 4.0 p -71.25 -13.77 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 111.641 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -94.01 -5.17 48.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.182 0.515 . . . . 0.0 110.375 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.7 m -100.18 142.56 31.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.053 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 78' ' ' VAL . 1.4 m . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.533 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.144 -0.382 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -119.67 2.78 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.817 -0.226 . . . . 0.0 111.002 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -49.14 78.35 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.79 -32.58 44.66 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.848 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.45 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 30.7 t90 -76.79 -47.21 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.45 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 59.8 mt -80.05 29.92 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' B' ' 34' ' ' ARG . 13.1 tpp180 -109.47 1.21 19.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.77 -11.12 29.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.894 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.412 HD13 ' OG1' ' B' ' 81' ' ' THR . 15.1 pt -134.65 17.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.511 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.95 54.25 19.25 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.579 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mp -126.67 10.77 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.352 . . . . 0.0 110.773 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pm0 -59.23 -25.54 64.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.392 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -10.48 56.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -100.22 -9.97 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.38 -62.55 1.43 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -46.82 -40.42 13.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.31 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.81 -38.42 96.13 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.397 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 46.6 mt -75.55 -47.56 26.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.457 0.17 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 73.4 t -44.91 -36.22 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -18.96 46.62 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.506 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 74.3 m-20 -108.78 26.23 10.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.796 0.331 . . . . 0.0 111.49 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.402 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 69.57 49.5 37.03 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.257 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -121.22 31.43 6.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.349 0.595 . . . . 0.0 110.269 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.18 41.05 0.91 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.81 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.508 ' CG ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -152.5 174.33 14.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.094 -178.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.1 mt -121.42 -16.83 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.629 0.252 . . . . 0.0 111.476 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.74 -49.81 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.268 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -73.34 -30.95 63.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.7 -15.27 63.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.131 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -66.02 -22.68 66.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -125.22 60.91 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.485 0.659 . . . . 0.0 110.418 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 tt -94.02 151.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.997 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 27.1 p -100.12 162.06 13.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.88 -27.43 68.21 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.77 -45.79 70.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.19 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -43.67 78.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.487 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 67.5 mt -57.11 -54.78 42.84 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.79 -46.96 31.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.822 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -65.73 -11.15 43.12 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.55 -0.77 31.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.675 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 -11.51 33.16 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.737 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 13.2 t -83.73 74.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.317 0.579 . . . . 0.0 110.203 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -92.86 2.11 56.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.983 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -84.19 129.31 58.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.3 -43.18 29.97 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.983 2.455 . . . . 0.0 113.104 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' B' ' 77' ' ' LEU . . . -63.72 -48.7 76.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.555 0.217 . . . . 0.0 111.397 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -62.37 -37.72 86.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.607 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 mtmt -64.02 -57.27 10.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.78 -43.9 69.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.498 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 73' ' ' ALA . 0.2 OUTLIER -57.99 -48.4 80.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.99 -48.09 83.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.93 -45.1 74.76 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -40.14 91.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.412 ' OG1' HD13 ' B' ' 36' ' ' ILE . 29.9 m -65.53 -38.59 90.09 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.76 -48.19 80.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -67.5 -40.36 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.53 -30.38 65.14 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m -91.05 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.361 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.323 0.106 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 t -52.35 -40.0 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 123.406 0.441 . . . . 0.0 111.526 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.884 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.66 -34.29 69.61 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.72 0.295 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -67.47 -41.81 84.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.6 mt -73.18 -26.09 61.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.033 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.28 -48.01 74.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.426 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -51.15 50.33 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.43 5.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 O-C-N 121.943 -0.473 . . . . 0.0 111.467 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HG3' ' HB2' ' B' ' 55' ' ' PHE . 14.9 mmtp 59.67 40.36 20.05 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.41 0.624 . . . . 0.0 111.651 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 mmt -111.86 32.79 5.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -57.83 -30.41 65.72 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.748 -1.115 . . . . 0.0 113.68 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 pm0 -77.91 -9.92 59.32 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 121.918 -0.489 . . . . 0.0 111.536 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.74 -3.01 58.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.079 0.466 . . . . 0.0 110.82 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -66.27 -26.24 67.25 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.228 0.537 . . . . 0.0 109.764 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -83.88 48.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.308 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 -44.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.469 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -59.83 -44.46 94.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.607 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.702 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 25.9 mmt -71.69 -25.29 62.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.298 -179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.49 -18.08 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.979 0.419 . . . . 0.0 110.85 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.2 -4.36 59.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.551 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.6 -10.02 55.89 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.738 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -87.09 76.57 9.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.3 0.571 . . . . 0.0 109.721 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.702 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -95.18 5.82 50.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.613 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.08 156.78 39.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.73 0.3 . . . . 0.0 110.861 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -53.98 -42.25 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.8 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.69 -33.98 76.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.236 -178.525 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -78.56 -35.81 45.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 45' ' ' MET . 74.6 t -61.62 -37.92 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.288 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.591 HG12 ' HB3' ' A' ' 71' ' ' LEU . 17.1 m -75.49 -12.19 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.638 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -82.45 -25.67 33.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.817 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.567 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.0 ptp -65.5 173.66 2.59 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.416 HG22 ' OD2' ' A' ' 49' ' ' ASP . 6.6 t -132.62 -179.09 5.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.024 -179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -54.18 -44.01 71.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.655 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' H ' HG23 ' A' ' 46' ' ' THR . 25.9 t70 -59.77 -39.51 85.09 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' A' ' 46' ' ' THR . 5.1 m-20 -54.05 -45.35 71.64 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.749 0.309 . . . . 0.0 111.273 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.874 HD12 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -56.04 -42.16 71.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 123.738 0.815 . . . . 0.0 110.997 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -81.6 -11.08 59.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.702 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -95.62 -36.05 11.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.6 pt -76.41 18.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.136 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.17 -93.28 0.41 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.081 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -9.09 81.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.641 1.577 . . . . 0.0 114.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -88.84 -16.22 32.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 110.771 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' B' ' 47' ' ' HIS . 41.5 mt -76.19 119.47 77.43 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 13.9 Cg_endo -55.52 -39.93 88.27 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.137 2.558 . . . . 0.0 113.598 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.553 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -64.31 -46.2 91.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.41 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.434 ' CD2' HD12 ' A' ' 57' ' ' LEU . 23.7 m-70 -63.21 -31.58 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -61.83 -66.68 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.81 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -39.04 -46.68 1.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.09 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -59.79 -46.43 89.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.897 179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.874 HG21 HD12 ' A' ' 50' ' ' ILE . 93.4 mt -68.39 -44.77 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -60.44 -39.07 86.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.053 0.454 . . . . 0.0 110.945 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -67.03 -41.01 87.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.908 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 m -68.44 -29.63 68.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.092 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 50' ' ' ILE . 15.8 mt -66.57 -36.39 82.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.425 0.155 . . . . 0.0 111.417 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 42.4 mt -60.98 -38.44 85.96 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.06 -42.84 96.45 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.469 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.591 ' HB3' HG12 ' A' ' 43' ' ' VAL . 12.7 mt -60.84 -46.47 90.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.885 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.499 ' O ' HG12 ' A' ' 75' ' ' VAL . 37.7 mttm -63.24 -39.97 96.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.11 -43.11 93.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.802 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -62.92 -37.65 87.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.08 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 72' ' ' LYS . 2.6 p -75.86 -10.06 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.253 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -89.85 -11.63 41.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 0.0 110.372 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.2 125.65 27.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.607 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.867 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.859 -0.497 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -126.94 24.51 6.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -53.36 59.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.052 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.21 65.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.177 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -68.51 -50.88 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.025 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.83 -30.4 71.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.489 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -60.05 -6.23 1.3 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.75 -30.3 68.88 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 pt -127.84 27.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.187 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.42 51.65 21.07 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.916 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.69 12.97 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 117.038 0.419 . . . . 0.0 111.654 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 -53.08 -24.46 10.11 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.95 -11.46 60.89 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -87.81 -22.92 24.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.48 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.466 ' O ' HG23 ' B' ' 46' ' ' VAL . 29.9 tt0 -48.71 -51.42 28.81 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.197 0.31 . . . . 0.0 110.946 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -43.62 -46.11 7.1 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.642 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.97 -29.74 60.33 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.551 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.15 24.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.467 0.307 . . . . 0.0 111.645 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 42' ' ' GLU . 46.2 t -104.13 -38.26 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.646 ' HA ' HD13 ' A' ' 57' ' ' LEU . 12.4 m170 -71.11 -4.85 27.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.553 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 2.2 m120 -114.87 3.95 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.199 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.69 38.55 61.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.711 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -109.92 19.55 18.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.431 0.634 . . . . 0.0 109.512 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.05 -19.22 40.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.998 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.13 112.61 20.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.632 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 53' ' ' LEU . 30.8 mt -58.44 -37.06 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -62.03 -38.11 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.554 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t80 -75.09 -34.08 61.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 tp -61.69 -24.93 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.452 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -68.66 -11.96 60.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -117.73 16.87 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.942 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 16.0 tt -72.3 144.24 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.008 0.432 . . . . 0.0 110.896 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -92.81 177.18 6.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.91 -6.57 59.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -94.38 -43.88 8.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.022 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.16 -33.24 51.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.609 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.25 -57.05 13.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -42.7 -34.21 0.86 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 1.2 mm-40 -56.18 -40.08 73.39 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.06 20.5 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.878 0.371 . . . . 0.0 111.499 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.07 84.83 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.549 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 62.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.49 0.662 . . . . 0.0 110.132 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.17 23.37 9.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.936 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -107.39 133.9 20.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.381 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.04 -52.07 8.15 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.239 2.626 . . . . 0.0 113.307 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.59 89.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.714 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -62.36 -44.71 95.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -61.18 -52.14 66.08 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.201 0.524 . . . . 0.0 109.693 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.38 -49.38 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.032 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.16 -47.43 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.787 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -48.76 80.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 110.339 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' B' ' 82' ' ' LEU . 6.0 tp -56.17 -41.73 75.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.91 -39.39 87.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.9 m -62.5 -35.44 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.216 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 79' ' ' LEU . 78.9 mt -53.66 -39.76 65.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.197 0.522 . . . . 0.0 110.53 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -80.21 -52.04 8.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.403 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 35.3 tp -52.52 -62.22 1.78 Allowed 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.6 m -75.38 -37.69 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.841 -0.599 . . . . 0.0 110.453 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.709 0.29 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' H ' HG23 ' A' ' 15' ' ' VAL . 15.3 t -49.07 -41.96 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.958 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.42 -40.95 72.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.863 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mt-10 -63.88 -35.16 79.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 111.339 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -72.86 -36.13 67.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.161 0.505 . . . . 0.0 109.961 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.0 mt -75.53 -38.54 59.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.569 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -69.64 -39.34 77.17 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -58.5 -41.05 84.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.9 pt -86.84 3.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.176 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 20' ' ' GLU . 19.7 mmtp 58.57 42.55 20.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.183 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.4 mmt -120.32 26.64 9.08 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.032 -1.44 . . . . 0.0 114.043 -177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -75.37 -2.77 30.02 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 119.084 0.856 . . . . 0.0 111.327 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' HG22 ' A' ' 55' ' ' VAL . 73.7 m-85 -92.43 8.55 38.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.086 0.47 . . . . 0.0 110.186 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.4 m -71.71 -27.38 62.98 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.46 43.81 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.672 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -160.39 -51.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.28 -41.05 79.0 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.222 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.546 ' SD ' ' HA ' ' A' ' 37' ' ' THR . 24.7 mmt -72.6 -24.53 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.19 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -24.57 40.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.066 0.46 . . . . 0.0 110.695 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.6 -3.06 52.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.068 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.29 -3.72 61.88 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.07 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -90.45 77.46 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.43 0.634 . . . . 0.0 109.505 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.546 ' HA ' ' SD ' ' A' ' 32' ' ' MET . 1.5 p -97.7 5.44 49.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.885 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB3' ' OE1' ' A' ' 40' ' ' GLU . . . -149.58 153.69 37.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.6 mm -58.65 -34.96 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.65 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.68 -32.36 73.42 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.526 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -79.66 -38.19 34.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.609 ' O ' ' HG2' ' A' ' 45' ' ' MET . 75.7 t -58.3 -41.26 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.403 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 71' ' ' LEU . 29.3 m -74.12 -16.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.564 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -82.47 -26.04 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 7.9 ptp -66.68 176.87 1.79 Allowed 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.3 t -136.18 178.15 7.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.29 -36.04 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.382 . . . . 0.0 110.436 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.9 78.87 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.084 178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.11 -48.67 78.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 64' ' ' ILE . 41.4 mm -53.67 -43.46 55.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 C-N-CA 123.614 0.766 . . . . 0.0 111.008 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -77.73 -10.25 59.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.043 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -103.42 -34.88 8.57 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 pt -76.13 15.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.44 -94.31 0.35 Allowed Glycine 0 N--CA 1.448 -0.542 0 CA-C-O 119.624 -0.542 . . . . 0.0 111.944 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 27' ' ' TYR . 1.6 t -10.6 87.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.527 1.531 . . . . 0.0 114.486 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -93.92 -15.57 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.568 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 57' ' ' LEU . 37.7 mt -75.32 129.52 82.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.71 -47.72 22.19 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.564 2.843 . . . . 0.0 113.816 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.59 ' HA3' ' CA ' ' B' ' 48' ' ' ASN . . . -69.61 -34.96 73.75 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 120.061 -1.066 . . . . 0.0 112.852 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -65.03 -29.81 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.767 0.794 . . . . 0.0 109.071 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -72.66 -64.57 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.97 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -35.88 -48.49 0.57 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 124.196 0.935 . . . . 0.0 112.917 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.541 ' HD3' ' CE2' ' B' ' 55' ' ' PHE . 0.1 OUTLIER -58.17 -49.06 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.053 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.89 HG21 HD12 ' A' ' 50' ' ' ILE . 90.0 mt -65.9 -47.51 85.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.224 179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.75 81.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.071 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -54.97 -49.95 70.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.437 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m -62.6 -33.58 75.27 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.283 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.86 -38.78 92.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.82 -41.13 90.61 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.22 91.35 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.826 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' HB3' HG12 ' A' ' 43' ' ' VAL . 43.2 mt -57.87 -45.3 86.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.762 0.315 . . . . 0.0 110.985 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 mttm -61.82 -43.19 99.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.0 -42.35 94.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.26 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 15.2 mm-40 -58.55 -42.88 88.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.953 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 72' ' ' LYS . 3.5 p -74.02 -10.01 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.398 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -94.45 -15.85 23.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 110.528 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.0 m -75.36 132.3 40.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.606 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -135.87 23.73 3.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.73 0.265 . . . . 0.0 111.426 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.98 -56.67 16.74 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.6 -27.02 57.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.107 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -75.64 -57.46 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.237 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' B' ' 42' ' ' GLU . 83.4 mt -59.52 -31.63 69.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.0 -10.16 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -29.24 65.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.042 0.449 . . . . 0.0 109.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.0 pt -129.84 27.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.71 49.0 17.39 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 113.659 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.35 14.13 13.74 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.486 -0.42 . . . . 0.0 111.501 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -55.36 -25.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.084 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -69.56 -0.4 6.65 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.634 0.254 . . . . 0.0 111.547 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -105.31 -21.48 13.23 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.455 -0.153 . . . . 0.0 111.375 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.43 ' HB2' HD12 ' B' ' 33' ' ' LEU . 68.8 tt0 -48.0 -52.83 18.29 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.311 0.382 . . . . 0.0 110.921 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -48.05 7.14 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.372 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.42 44.73 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.747 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.8 -58.89 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.363 0.125 . . . . 0.0 111.208 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -44.75 -37.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -19.86 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.59 ' CA ' ' HA3' ' A' ' 59' ' ' GLY . 3.0 m120 -112.95 27.24 9.79 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.373 -0.531 . . . . 0.0 112.061 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.6 54.79 4.85 Favored Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.205 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -133.01 34.21 3.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.486 0.66 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -78.34 -17.28 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.583 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' HG3' ' A' ' 23' ' ' LYS . 29.1 t70 -104.42 127.74 52.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 7.1 mt -75.04 -29.7 60.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.437 ' HB2' ' HZ2' ' A' ' 23' ' ' LYS . 18.0 mt-10 -63.02 -44.39 96.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.225 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.541 ' CE2' ' HD3' ' A' ' 63' ' ' ARG . 31.8 t80 -73.48 -28.9 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.5 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.4 -24.56 66.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.005 0.431 . . . . 0.0 110.571 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -16.55 64.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -112.02 24.51 12.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 110.901 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.0 tt -76.36 148.72 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.148 0.499 . . . . 0.0 110.769 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.8 p -102.34 166.23 10.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.137 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.88 -15.01 62.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.11 -52.8 6.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.573 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -22.38 65.98 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.4 -51.38 69.66 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -41.28 -37.66 1.01 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.71 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.464 ' HB3' HD22 ' B' ' 48' ' ' ASN . 9.9 mm-40 -54.7 -33.58 61.13 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.69 10.7 24.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.87 0.367 . . . . 0.0 111.567 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.03 -4.15 70.94 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.304 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.64 71.36 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.054 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.64 -8.23 35.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.715 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -76.44 128.6 81.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.76 -46.15 31.62 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.148 2.565 . . . . 0.0 113.367 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.56 -48.0 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.618 0.247 . . . . 0.0 111.552 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -60.29 -39.03 85.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.079 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -62.85 -54.75 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.19 0.519 . . . . 0.0 109.756 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt85 -54.97 -44.86 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.924 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.47 -47.55 83.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.387 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -49.26 77.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.355 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' B' ' 82' ' ' LEU . 1.2 mp -54.88 -43.03 72.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.244 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.98 -41.64 90.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.05 0.453 . . . . 0.0 110.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 m -64.74 -34.34 78.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.429 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' B' ' 79' ' ' LEU . 83.4 mt -53.95 -47.77 70.94 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-O 120.736 0.303 . . . . 0.0 110.998 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -73.96 -45.72 48.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.785 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.45 -48.79 71.31 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 m -97.01 -35.95 10.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 mttm . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.105 -178.649 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.2 t -59.68 -39.27 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -50.74 71.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.43 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.42 -31.64 71.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.851 0.358 . . . . 0.0 111.6 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.178 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.0 mt -79.36 -33.25 43.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.862 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.56 -45.54 86.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.972 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.19 -40.41 67.53 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 pt -88.47 5.04 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.85 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt 67.77 35.08 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.555 0.742 . . . . 0.0 111.87 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 mmt -114.22 25.58 10.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -27.4 38.59 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.01 -0.996 . . . . 0.0 113.103 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -82.11 -4.38 56.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 118.542 0.61 . . . . 0.0 111.809 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CD1' HG22 ' A' ' 55' ' ' VAL . 74.1 m-85 -96.74 2.31 51.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.872 0.367 . . . . 0.0 110.339 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 m -64.34 -32.38 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.794 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.07 -51.72 68.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.82 0.819 . . . . 0.0 109.638 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.037 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.2 -41.6 98.51 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 110.578 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.6 mtt -61.68 -45.51 93.69 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.545 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.8 62.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 110.756 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 -20.34 60.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.497 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.11 0.6 44.72 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.734 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.19 73.67 4.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.159 0.504 . . . . 0.0 110.363 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.6 13.72 33.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.027 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -148.77 146.26 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.361 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.9 mm -53.66 -43.29 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -64.23 -27.42 69.04 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.53 -178.504 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 19.9 mttp -84.99 -34.68 22.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.744 0.307 . . . . 0.0 110.714 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.7 t -59.7 -36.91 68.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.0 m -77.75 -5.3 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 41' ' ' LYS . 77.0 mt-30 -83.68 -24.41 31.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.649 0.261 . . . . 0.0 110.749 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.602 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 12.2 ptp -64.67 179.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.131 0.491 . . . . 0.0 111.555 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 t -139.22 176.08 9.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.044 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.79 -52.36 60.51 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.349 0.406 . . . . 0.0 111.814 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.54 -36.41 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 111.584 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -62.53 -37.75 87.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.299 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.85 HD11 ' CD1' ' A' ' 68' ' ' LEU . 93.2 mt -60.02 -28.96 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.592 0 CA-C-O 121.583 0.706 . . . . 0.0 111.018 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 61' ' ' GLN . 16.4 mtpp -86.72 -13.94 43.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.294 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 52' ' ' ARG . 15.4 ttp85 -91.2 -38.49 12.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.2 pt -70.34 11.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.689 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.38 -85.55 0.32 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.955 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 55' ' ' VAL . 3.5 t -23.93 98.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.552 1.141 . . . . 0.0 113.842 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -97.23 -11.55 24.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 58' ' ' PRO . 80.5 mt -78.19 120.63 81.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.105 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -59.0 -42.24 53.76 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.207 2.604 . . . . 0.0 113.331 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.442 ' C ' ' HA ' ' B' ' 48' ' ' ASN . . . -68.93 -31.59 72.78 Favored Glycine 0 N--CA 1.44 -1.058 0 C-N-CA 119.833 -1.175 . . . . 0.0 112.105 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -71.76 -30.08 65.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG2' HG22 ' A' ' 50' ' ' ILE . 32.0 mt-30 -68.21 -62.29 1.46 Allowed 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.18 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -43.44 -43.16 5.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.752 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.63 -52.93 63.4 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.22 0.533 . . . . 0.0 109.903 178.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.72 -43.58 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.269 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -57.46 -37.62 73.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.369 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.569 0.7 . . . . 0.0 110.322 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 m -71.26 -24.2 62.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.899 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.85 ' CD1' HD11 ' A' ' 50' ' ' ILE . 12.9 mt -71.23 -32.83 69.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 65' ' ' ALA . 78.6 mt -64.61 -42.1 95.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.75 -45.98 94.82 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.061 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.41 -43.78 88.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 111.446 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 75' ' ' VAL . 58.9 mttm -65.89 -38.66 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.542 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.28 -41.27 73.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.296 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -66.81 -35.73 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.518 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.4 p -72.62 -17.82 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.374 0.607 . . . . 0.0 110.126 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -92.56 -8.91 43.03 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.203 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -84.41 127.19 33.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.852 179.613 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.179 -0.368 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -130.87 30.8 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.18 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 m -59.99 -49.57 77.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.165 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.56 -34.35 72.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.676 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -69.21 -42.56 75.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.955 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.6 mt -74.8 -28.02 60.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.153 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.472 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 6.0 tpp180 -59.68 -22.29 61.75 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.983 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.67 68.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.589 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.421 HD13 ' OG1' ' B' ' 81' ' ' THR . 14.9 pt -121.48 17.73 5.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.686 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.85 46.16 60.58 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.49 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.57 14.17 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.933 0.366 . . . . 0.0 110.972 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.472 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 2.9 pm0 -53.37 -21.61 6.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -72.27 -15.16 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -86.38 -22.87 26.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.483 ' O ' HG23 ' B' ' 46' ' ' VAL . 70.9 tt0 -49.75 -31.17 10.86 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.895 0.378 . . . . 0.0 111.335 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -55.0 -48.27 73.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.88 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.17 -28.9 55.2 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.796 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.14 14.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 42' ' ' GLU . 49.0 t -102.63 -28.25 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.243 0.544 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -77.46 -10.87 59.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.263 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.497 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 1.0 OUTLIER -111.35 -2.46 15.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.623 0.249 . . . . 0.0 111.112 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.13 52.92 5.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.699 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 56.9 m95 -116.25 21.5 13.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.179 0.514 . . . . 0.0 110.104 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -82.87 5.11 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -111.2 112.02 23.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.261 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.66 -30.46 70.73 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.79 -53.93 43.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.176 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -69.56 -28.6 66.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.237 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.85 -22.37 66.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.998 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.6 m -76.47 -2.49 32.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.744 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.29 17.49 10.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.188 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 18.5 tt -70.06 141.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 59.4 p -102.17 177.54 4.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.0 -16.6 61.51 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -74.68 -52.76 10.77 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.454 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -52.06 -46.09 65.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -48.83 -61.72 1.9 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.511 0.196 . . . . 0.0 110.661 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -42.53 -47.28 5.1 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.805 177.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.16 -31.75 67.55 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.05 4.57 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 111.476 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.44 -8.36 60.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.653 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 t -82.33 75.59 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.218 0.533 . . . . 0.0 110.047 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -96.95 -12.79 22.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.283 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 30.1 t70 -69.55 128.86 91.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.975 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 71' ' ' ASP . 65.0 Cg_exo -52.48 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.323 2.682 . . . . 0.0 113.377 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.1 90.26 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 35.6 m80 -61.66 -41.14 97.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.834 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -64.2 -47.78 78.45 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 36.7 tpt85 -57.88 -49.94 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.637 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.49 -48.7 78.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.941 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -45.32 89.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.579 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.14 -36.61 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.74 -37.87 64.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.181 0.515 . . . . 0.0 110.231 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.448 ' HA ' ' HB3' ' B' ' 84' ' ' LEU . 13.7 m -60.79 -34.42 74.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.123 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 95.5 mt -53.3 -31.05 42.09 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.043 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.41 -49.46 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.994 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' B' ' 81' ' ' THR . 14.6 tp -47.23 -48.55 24.19 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.742 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 4.51 18.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 39.0 mttm . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.203 -179.846 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.756 0.312 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.11 -40.2 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.412 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 p -57.2 -43.57 82.87 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.333 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.47 -47.42 86.21 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.673 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 7.2 t90 -61.21 -55.53 31.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.526 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 18.2 mt -58.61 -41.78 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.684 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -59.38 -46.63 88.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.462 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.7 p -62.16 -39.68 93.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.9 pt -85.12 -1.3 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 121.495 -0.753 . . . . 0.0 110.543 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER 71.65 18.59 5.25 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.937 177.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 mmt -100.16 26.97 5.96 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -54.76 -33.33 61.16 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -77.44 14.77 0.9 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.37 4.17 10.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.203 0.525 . . . . 0.0 110.056 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -65.86 -35.51 80.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.682 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -70.13 5.65 1.57 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.459 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.22 -41.71 3.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -59.57 -45.12 92.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.611 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.72 ' SD ' HG22 ' A' ' 37' ' ' THR . 20.0 mmt -62.4 -26.6 68.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.953 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.07 46.33 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.373 0.606 . . . . 0.0 110.917 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.42 -26.68 61.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.5 14.31 7.6 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.337 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -97.27 71.16 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.38 0.609 . . . . 0.0 109.952 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.72 HG22 ' SD ' ' A' ' 32' ' ' MET . 22.9 p -99.35 15.11 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.855 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -150.35 153.02 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.69 -45.2 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -62.98 -38.55 91.59 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.301 -178.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HG3' ' OE1' ' A' ' 40' ' ' GLU . 3.1 mttp -66.83 -35.83 80.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.237 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 38' ' ' ALA . 52.0 t -59.99 -39.09 79.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -85.35 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.282 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.59 -36.2 33.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.411 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 1.9 ptp -61.08 178.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.335 0.588 . . . . 0.0 111.513 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.428 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 14.1 t -132.67 175.73 9.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.415 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.48 -48.07 72.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.234 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.5 -30.41 71.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.93 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 46' ' ' THR . 0.5 OUTLIER -62.07 -34.65 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.105 0.478 . . . . 0.0 110.044 179.704 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.648 HD11 HD11 ' A' ' 68' ' ' LEU . 92.8 mt -59.27 -30.84 44.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 C-N-CA 123.435 0.694 . . . . 0.0 110.994 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -78.16 -22.91 48.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.768 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -86.06 -34.57 20.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.075 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.9 pt -65.28 -12.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.45 -70.16 0.38 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.222 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -37.51 107.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -118.61 25.23 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.03 0.443 . . . . 0.0 111.07 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 60' ' ' HIS . 30.7 mt -111.81 133.45 21.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.338 -0.392 . . . . 0.0 109.97 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.31 -53.36 6.79 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 124.078 3.186 . . . . 0.0 114.674 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.34 -36.68 93.51 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.979 -1.105 . . . . 0.0 111.846 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 26.7 m80 -69.94 -25.66 63.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.853 0.835 . . . . 0.0 108.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -88.28 -1.34 57.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.636 -178.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.36 -42.32 7.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.299 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 HH22 ' HA ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -56.49 -51.79 67.17 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.94 0.4 . . . . 0.0 111.366 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 68.9 mt -62.92 -45.15 99.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.7 91.8 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.031 0.443 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.5 -49.4 77.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.871 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 15.8 m -64.93 -32.47 74.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD11 HD11 ' A' ' 50' ' ' ILE . 82.4 mt -60.16 -37.63 80.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.294 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.63 -48.16 82.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.12 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.88 -39.15 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.944 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt -60.69 -42.31 96.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.877 0.37 . . . . 0.0 111.228 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -67.71 -33.38 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.103 0.478 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.5 -39.38 70.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.823 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -60.44 -41.26 93.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.702 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.86 -11.63 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -91.4 -17.35 25.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.467 0.651 . . . . 0.0 109.838 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.5 m -82.66 137.19 34.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.59 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.482 -0.771 . . . . 0.0 110.13 -179.764 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.2 ptt? -124.37 11.62 8.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.769 0.319 . . . . 0.0 110.206 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -56.4 20.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.43 -33.74 45.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.264 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -75.06 -45.55 40.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.52 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.09 -29.77 70.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.404 ' HD3' ' CD ' ' B' ' 39' ' ' GLU . 11.1 tpp180 -58.43 -12.38 3.83 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.712 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.19 68.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.521 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.479 HD13 ' OG1' ' B' ' 81' ' ' THR . 9.2 pt -128.77 15.93 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.267 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.56 93.36 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.646 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.8 17.53 18.0 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.483 -0.422 . . . . 0.0 111.188 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.404 ' CD ' ' HD3' ' B' ' 34' ' ' ARG . 23.7 pm0 -65.43 -16.77 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 110.37 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -67.31 -11.28 57.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.204 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -108.1 -4.7 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -50.42 -58.01 6.7 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -46.83 -45.9 20.48 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.29 -35.15 89.9 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.224 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' B' ' 50' ' ' TRP . 82.9 mt -71.43 -52.29 19.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.688 0.28 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.409 HG22 ' HB3' ' B' ' 51' ' ' ASP . 97.3 t -54.27 -43.73 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.9 -47.93 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.489 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -61.59 -50.86 70.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.987 0.422 . . . . 0.0 110.402 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.409 ' HA3' ' N ' ' A' ' 60' ' ' HIS . . . 137.87 47.82 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.326 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.489 ' HB2' ' HB3' ' B' ' 45' ' ' LEU . 47.4 m95 -127.67 24.14 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.674 0.274 . . . . 0.0 110.32 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.409 ' HB3' HG22 ' B' ' 46' ' ' VAL . 17.9 p-10 -81.28 3.09 25.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.209 0.528 . . . . 0.0 110.228 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 23' ' ' LYS . 1.9 m-20 -90.28 105.18 17.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.107 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.65 -23.97 62.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.894 0.378 . . . . 0.0 110.564 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.08 -44.46 69.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.07 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -94.49 3.79 54.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.358 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.471 ' HA ' HH22 ' A' ' 63' ' ' ARG . 12.4 tp -71.25 -21.12 62.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.596 0.236 . . . . 0.0 111.21 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -69.56 -24.92 63.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.056 0.455 . . . . 0.0 110.388 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.32 90.74 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 17.8 tt -154.34 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.641 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 18.0 p -102.09 175.74 5.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.039 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.75 -26.85 66.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' B' ' 64' ' ' LEU . 49.2 mt-10 -78.26 -28.44 47.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.835 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -80.1 21.62 0.57 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.394 0.616 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.515 HD22 HD13 ' B' ' 78' ' ' LEU . 72.7 mt -116.22 -62.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HG2' ' B' ' 70' ' ' GLN . 0.1 OUTLIER -47.83 -28.96 2.85 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.79 177.06 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -62.33 -23.09 66.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.956 0.408 . . . . 0.0 111.132 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.62 8.9 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.246 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 -5.85 49.68 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t -81.77 68.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.25 0.547 . . . . 0.0 110.19 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.566 ' HG2' ' HB2' ' B' ' 65' ' ' GLU . 93.8 mt-30 -98.2 27.48 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.223 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -116.41 131.86 23.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.225 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.3 -40.73 65.67 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.065 2.51 . . . . 0.0 113.344 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -44.57 81.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.825 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -64.32 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.62 -54.49 26.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -52.09 -42.67 63.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.643 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -43.3 96.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.515 HD13 HD22 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -59.99 -52.27 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.83 -47.42 77.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.69 -43.16 89.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.813 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.479 ' OG1' HD13 ' B' ' 36' ' ' ILE . 21.0 m -69.11 -33.15 73.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.439 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 89.9 mt -60.06 -49.82 76.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.358 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -62.61 -33.54 75.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.398 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.08 -24.65 65.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.508 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -105.99 -15.22 14.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.448 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.9 -1.048 . . . . 0.0 111.015 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.4 t -56.21 -36.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.434 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -62.0 -35.57 78.93 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.778 0.323 . . . . 0.0 111.687 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.439 ' CZ2' ' HB3' ' A' ' 67' ' ' SER . 52.4 t90 -66.12 -37.25 85.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' ' CE3' ' A' ' 18' ' ' TRP . 13.5 mt -88.07 -27.38 22.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.552 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -65.32 -46.49 80.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.339 179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -55.63 -48.38 75.02 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 pt -79.85 2.45 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.499 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 67.19 38.52 3.35 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.843 0.715 . . . . 0.0 112.524 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.2 mmt -118.33 30.21 7.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.737 0.779 . . . . 0.0 109.165 178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -57.38 -23.19 47.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.449 -1.25 . . . . 0.0 113.979 -178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -81.66 -7.51 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.721 0.691 . . . . 0.0 111.688 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.508 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 73.4 m-85 -97.32 -8.62 29.24 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 m -56.37 -37.59 70.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -62.11 -50.74 70.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -55.89 -39.76 72.02 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.418 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 14.9 m-85 -61.5 -48.51 80.77 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.151 0.5 . . . . 0.0 111.52 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.411 ' HG2' HG23 ' A' ' 37' ' ' THR . 56.3 mtt -73.0 -7.21 50.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.106 -177.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.35 -15.84 21.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 0.0 110.05 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -95.61 -4.04 45.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.21 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.39 -7.58 47.13 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.745 -0.741 . . . . 0.0 113.051 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -86.97 68.61 10.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.287 0.565 . . . . 0.0 110.013 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 32' ' ' MET . 0.2 OUTLIER -102.78 7.73 39.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.14 -179.356 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -138.86 141.11 38.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.341 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.98 -45.29 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' OE2' ' HB1' ' A' ' 38' ' ' ALA . 1.3 mp0 -58.96 -33.62 70.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.77 0.319 . . . . 0.0 111.346 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.52 -33.72 36.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.105 0.478 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.8 t -64.86 -43.32 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.296 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' A' ' 71' ' ' LEU . 20.4 m -74.27 -14.55 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.097 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -81.79 -25.02 35.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.365 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.5 ptp -66.44 -178.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 7.4 t -131.82 176.66 8.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.86 -41.27 77.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.168 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.09 -32.67 73.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.425 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 46' ' ' THR . 2.9 m-20 -58.87 -36.13 74.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.109 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 68' ' ' LEU . 96.2 mt -57.0 -39.56 66.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.262 0.553 . . . . 0.0 111.004 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 7.3 mtpp -77.59 -38.45 48.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.383 0.611 . . . . 0.0 109.433 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -45.97 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.035 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 pt -71.8 6.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.47 -81.37 0.33 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.26 -0.971 . . . . 0.0 112.98 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.433 HG22 ' CD1' ' A' ' 27' ' ' TYR . 2.2 t -23.9 96.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.89 1.276 . . . . 0.0 114.236 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.08 -10.19 24.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.541 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' B' ' 47' ' ' HIS . 41.3 mt -78.66 122.01 84.3 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.87 -42.77 60.98 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.954 2.436 . . . . 0.0 112.798 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -66.77 -39.64 93.62 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.769 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -69.02 -28.91 67.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.651 ' HG2' HG22 ' A' ' 50' ' ' ILE . 35.3 mt-30 -68.2 -63.16 1.11 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.457 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -39.73 -46.58 1.92 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.148 0.905 . . . . 0.0 111.65 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -54.37 -54.19 43.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.51 -45.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.732 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.92 81.51 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.87 -46.54 87.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.115 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -65.15 -36.72 85.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.071 179.197 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD12 HD11 ' A' ' 50' ' ' ILE . 9.2 mt -60.89 -42.21 97.55 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 111.211 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.28 -40.65 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.506 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.27 -47.21 92.19 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.698 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HB3' HG12 ' A' ' 43' ' ' VAL . 15.9 mt -59.67 -44.05 93.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.601 0.238 . . . . 0.0 111.309 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.44 ' O ' HG12 ' A' ' 75' ' ' VAL . 67.0 mttm -61.04 -45.23 95.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.49 -45.78 82.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.036 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -59.96 -41.82 92.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.891 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 72' ' ' LYS . 5.4 p -71.55 -18.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 111.195 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -91.68 -6.0 52.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.16 0.505 . . . . 0.0 110.366 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.7 m -88.92 146.94 24.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.707 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.918 179.705 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.09 23.43 2.58 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.861 0.363 . . . . 0.0 110.321 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -54.58 45.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.153 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.48 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.5 t90 -69.5 -47.41 63.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.098 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.7 mt -71.07 -28.4 64.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.684 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.83 -15.13 7.38 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.261 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -31.65 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.536 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 8.3 pt -127.36 21.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.053 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.49 50.45 35.82 Favored Glycine 0 CA--C 1.52 0.387 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.364 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 tp -120.36 12.56 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.997 0.427 . . . . 0.0 110.906 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -53.51 -22.71 8.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -62.43 -19.7 63.74 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -88.31 -22.98 23.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -50.28 -36.42 31.44 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.143 0.497 . . . . 0.0 110.865 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.4 -49.77 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.321 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.91 -19.62 61.0 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.828 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.15 17.49 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 58.4 t -98.13 -26.12 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.245 0.545 . . . . 0.0 110.151 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 17.0 m-70 -69.28 -19.37 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.594 ' HB2' ' CD1' ' B' ' 50' ' ' TRP . 0.0 OUTLIER -110.06 1.71 19.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.477 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.21 42.81 95.53 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.328 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' B' ' 48' ' ' ASN . 13.9 m95 -88.2 18.72 4.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.508 . . . . 0.0 110.601 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.16 -20.11 60.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.496 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.7 98.8 7.12 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 73.6 mt -59.85 -21.88 61.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.785 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.74 -61.63 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.796 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -69.69 -24.87 63.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.776 0.322 . . . . 0.0 110.278 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.42 -24.61 67.69 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 121.099 0.476 . . . . 0.0 110.183 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 m -72.8 -16.92 61.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.465 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -110.45 21.21 16.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.2 tt -78.46 155.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 19.2 p -104.78 172.26 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 0.0 110.424 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -82.95 13.46 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.032 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.417 ' HA ' ' OE2' ' B' ' 65' ' ' GLU . 35.9 mt-10 -126.08 34.7 4.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.527 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -132.92 -40.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.32 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.511 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 66.5 mt -52.99 -46.68 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.12 -178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.417 ' OE2' ' HA ' ' B' ' 62' ' ' GLU . 2.5 pm0 -40.58 -41.43 1.47 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.471 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.0 tt0 -60.01 -30.75 69.36 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.37 -3.37 58.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.983 0.42 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.6 -10.34 23.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.276 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 2.1 t -82.86 71.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -100.44 12.15 37.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.247 0.546 . . . . 0.0 110.181 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 16.5 t70 -91.81 135.08 27.93 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.782 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.07 -55.17 3.11 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.054 2.502 . . . . 0.0 113.161 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.69 -46.26 90.45 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.453 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 49.8 m170 -58.32 -43.99 88.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.314 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -66.02 -42.83 89.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.406 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.86 -50.76 70.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.503 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -56.22 -45.04 80.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.654 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.36 -42.18 98.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.777 0.323 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.64 -37.12 82.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -72.78 -36.32 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.248 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.9 m -64.3 -31.97 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.857 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.53 ' O ' ' HA ' ' B' ' 86' ' ' LYS . 90.0 mt -59.14 -30.09 67.89 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.175 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -87.26 -59.29 2.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 33.6 tp -42.61 -60.87 1.39 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.955 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.8 m -84.91 -40.57 16.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.641 0.257 . . . . 0.0 111.125 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.535 -0.745 . . . . 0.0 110.8 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.577 0.227 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 t -57.28 -40.08 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.692 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -47.01 81.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.785 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -63.93 -36.78 85.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.007 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -67.58 -44.95 76.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.215 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.01 -22.47 63.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.512 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.55 -36.12 33.46 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -54.22 -32.35 55.62 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.111 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 pt -105.89 -0.17 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' B' ' 52' ' ' ASP . 55.1 mmtt 64.07 44.82 4.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 112.382 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.5 mmt -121.08 23.96 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -58.39 -23.18 56.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.971 -177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -82.93 -0.3 47.83 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.262 -0.899 . . . . 0.0 111.462 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' HD1' ' A' ' 31' ' ' PHE . 66.7 m-85 -97.58 2.74 50.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.744 0.306 . . . . 0.0 110.72 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 m -63.52 -30.91 71.96 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.354 0.597 . . . . 0.0 110.373 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -68.05 4.03 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.033 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.09 -43.65 2.53 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' A' ' 27' ' ' TYR . 30.4 m-85 -55.49 -46.82 76.86 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.56 0.695 . . . . 0.0 110.134 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.493 ' SD ' HG22 ' A' ' 37' ' ' THR . 22.9 mmt -64.34 -39.94 94.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.329 -178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.68 -25.15 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.723 0.297 . . . . 0.0 111.747 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.39 -9.57 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.55 -4.05 30.97 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.255 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -89.01 75.76 7.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.413 0.625 . . . . 0.0 109.859 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.493 HG22 ' SD ' ' A' ' 32' ' ' MET . 1.2 p -99.14 3.91 46.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.831 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -153.08 161.24 42.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.904 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.01 -44.12 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -59.57 -40.36 87.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.903 0.32 . . . . 0.0 111.417 -178.37 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -69.39 -38.74 78.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.797 0.332 . . . . 0.0 110.19 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 38' ' ' ALA . 75.5 t -61.28 -35.57 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.22 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.47 -12.3 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.953 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -82.49 -29.22 30.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.899 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 10.9 ptp -58.92 167.2 1.68 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.177 0.513 . . . . 0.0 111.644 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 9.4 t -119.33 175.12 5.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.244 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.6 -44.22 85.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.67 -22.84 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.632 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HB2' ' H ' ' A' ' 46' ' ' THR . 0.2 OUTLIER -60.91 -34.86 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.744 HD11 HD12 ' A' ' 68' ' ' LEU . 93.0 mt -56.23 -35.26 41.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.833 0.825 . . . . 0.0 111.001 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 55' ' ' VAL . 3.1 mtpp -83.61 -38.66 21.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.518 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -62.56 -36.03 81.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.25 -0.08 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.24 -81.31 0.26 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.03 -1.081 . . . . 0.0 113.64 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 21.3 t -28.51 97.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -98.71 -4.04 34.49 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.858 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' B' ' 47' ' ' HIS . 80.1 mt -83.29 119.88 74.77 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 11.5 Cg_endo -53.28 -48.17 23.48 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.599 2.866 . . . . 0.0 114.11 -177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.586 ' HA3' ' HA ' ' B' ' 48' ' ' ASN . . . -65.42 -37.48 93.86 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.399 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.518 ' CE1' ' HA2' ' B' ' 49' ' ' GLY . 4.2 m-70 -65.94 -27.46 68.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 109.111 179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 31.3 mt-30 -69.27 -64.02 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.11 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -37.93 -44.43 0.78 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 48' ' ' ASN . 0.0 OUTLIER -59.73 -46.03 90.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.979 0.419 . . . . 0.0 110.917 -178.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.2 mt -70.58 -50.49 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.61 -40.11 78.41 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.78 -45.67 85.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.197 0.523 . . . . 0.0 110.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -65.7 -28.64 69.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.143 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 50' ' ' ILE . 14.0 mt -63.17 -42.52 99.4 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.424 -0.172 . . . . 0.0 110.581 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.1 mt -53.95 -38.71 65.23 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.428 0.455 . . . . 0.0 110.581 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.55 -45.47 94.63 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.505 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.73 -45.32 93.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 0.0 111.046 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -58.74 -42.84 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.214 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.24 -41.1 61.85 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.865 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -65.12 -38.11 89.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.807 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.3 p -70.2 -16.13 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.451 . . . . 0.0 110.802 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -99.62 1.36 43.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.601 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m -87.1 148.94 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.397 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.905 179.435 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -125.98 18.54 7.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.761 0.315 . . . . 0.0 110.627 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.98 -54.11 50.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 0.0 110.081 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.81 64.67 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.062 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -71.16 -53.39 14.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.329 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.413 ' CB ' ' HA ' ' B' ' 39' ' ' GLU . 15.1 mt -57.6 -29.31 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.406 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -54.93 -24.76 25.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.395 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.25 57.45 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.677 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 pt -120.41 23.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.997 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.49 34.03 34.0 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.056 -0.975 . . . . 0.0 113.644 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.88 14.14 24.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.02 0.438 . . . . 0.0 110.794 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.413 ' HA ' ' CB ' ' B' ' 33' ' ' LEU . 0.0 OUTLIER -50.36 -31.03 13.6 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.554 179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -66.49 -8.09 24.02 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.456 ' CE1' HG22 ' B' ' 69' ' ' VAL . 0.6 OUTLIER -89.77 -22.13 22.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 179.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.509 ' O ' HG23 ' B' ' 46' ' ' VAL . 32.1 tt0 -55.99 -24.94 41.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.195 0.522 . . . . 0.0 110.983 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.54 -49.9 73.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.051 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.81 -5.13 81.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.062 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' B' ' 50' ' ' TRP . 30.4 mt -95.1 16.72 15.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.557 -0.379 . . . . 0.0 111.369 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 42' ' ' GLU . 54.3 t -96.18 -41.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 122.107 -0.371 . . . . 0.0 111.661 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 57' ' ' LEU . 9.6 m-70 -69.62 0.47 5.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -177.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.586 ' HA ' ' HA3' ' A' ' 59' ' ' GLY . 5.3 m-20 -112.2 1.93 16.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.518 ' HA2' ' CE1' ' A' ' 60' ' ' HIS . . . 88.75 22.59 38.86 Favored Glycine 0 C--N 1.319 -0.405 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.824 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.509 ' HB2' ' O ' ' B' ' 45' ' ' LEU . 43.8 m95 -85.6 40.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.737 0.78 . . . . 0.0 109.319 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.21 -29.38 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.338 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 41.9 t0 -114.77 127.25 55.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.87 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.1 -20.99 65.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.532 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -60.56 -41.26 94.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.933 0.397 . . . . 0.0 110.094 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -77.67 -28.04 51.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -15.83 61.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.594 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -79.35 -8.4 59.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 110.052 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.83 18.11 17.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.882 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.8 tt -75.57 150.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.317 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.5 p -112.73 173.91 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.06 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -67.44 -26.08 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.65 -55.77 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.047 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -52.91 -42.07 65.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.477 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.428 HD21 HD22 ' B' ' 78' ' ' LEU . 21.9 mt -54.46 -60.26 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' B' ' 66' ' ' GLU . 0.0 OUTLIER -43.36 -37.29 2.21 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' B' ' 65' ' ' GLU . 45.8 mt-10 -59.34 -34.7 72.68 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.4 -0.68 42.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.862 0.363 . . . . 0.0 111.53 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.64 4.38 37.0 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.299 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.456 HG22 ' CE1' ' B' ' 41' ' ' TYR . 2.7 t -85.81 63.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.274 0.559 . . . . 0.0 110.073 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -98.79 49.08 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.356 0.598 . . . . 0.0 110.533 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' B' ' 74' ' ' HIS . 7.5 t70 -136.28 131.8 18.75 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.486 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.25 -53.68 5.48 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.964 2.443 . . . . 0.0 113.202 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.85 92.9 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' B' ' 71' ' ' ASP . 56.2 m170 -57.96 -45.92 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.338 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -56.5 -51.69 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.43 -43.87 79.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.541 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 82' ' ' LEU . 2.0 tt -61.75 -45.9 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.03 -40.87 86.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.71 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -66.31 -38.82 88.59 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.425 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -65.28 -35.19 80.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 78' ' ' LEU . 95.1 mt -55.99 -45.9 78.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.41 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -67.48 -44.72 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.98 -24.51 67.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -94.34 -49.03 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? . . . . . 0 C--O 1.25 1.118 0 O-C-N 123.981 0.801 . . . . 0.0 110.669 -179.542 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.684 0.278 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.22 -37.58 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.778 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -44.25 93.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 23.3 mt-10 -59.64 -32.32 70.34 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.301 0.572 . . . . 0.0 111.331 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -77.17 -29.31 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.878 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.3 mt -90.8 -24.42 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -76.48 -41.86 45.69 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.631 -179.385 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -32.35 65.38 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.599 HG21 ' OG ' ' A' ' 67' ' ' SER . 11.9 pt -99.16 1.23 10.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 61.62 49.19 5.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.691 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mmt -131.84 42.67 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -62.48 -24.95 67.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 pm0 -73.01 -0.91 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.532 -0.73 . . . . 0.0 112.452 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.42 -2.85 51.22 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.705 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -63.48 -40.21 96.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.466 0.651 . . . . 0.0 109.486 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -87.72 44.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.939 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -154.25 -54.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.111 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -66.37 -40.07 89.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.464 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.1 mtt -76.41 -15.41 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.287 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.91 -21.76 29.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.334 0.588 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.83 0.72 54.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.89 -8.16 53.83 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.941 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -89.13 74.6 8.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.409 0.623 . . . . 0.0 109.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.02 5.75 50.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.008 -178.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -150.16 155.43 39.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.565 0.221 . . . . 0.0 110.722 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.36 -42.25 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -61.74 -28.66 69.59 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.204 -178.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 38' ' ' ALA . 11.4 mttp -84.36 -31.63 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.0 0.429 . . . . 0.0 110.014 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 45' ' ' MET . 77.5 t -62.48 -37.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.732 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -75.31 -7.66 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.649 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 77.7 mt-30 -85.97 -25.21 26.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.302 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 42' ' ' VAL . 11.1 ptp -70.62 179.99 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.061 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -140.84 178.86 7.06 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -52.39 -43.31 64.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.062 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.3 -42.66 91.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.804 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 3.5 m-20 -53.11 -47.2 68.8 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.942 0.401 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.866 HD11 ' CD1' ' A' ' 68' ' ' LEU . 96.1 mt -54.01 -42.23 53.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 C-N-CA 123.907 0.883 . . . . 0.0 111.014 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -79.73 -18.89 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -84.91 -40.16 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.727 0.299 . . . . 0.0 110.721 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 49' ' ' ASP . 17.9 pt -80.8 16.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.016 0.436 . . . . 0.0 111.499 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.83 -125.25 6.24 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.829 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t 39.19 61.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.385 0.697 . . . . 0.0 111.998 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -22.32 63.03 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 57' ' ' LEU . 17.3 mt -75.88 125.95 87.61 Favored Pre-proline 0 N--CA 1.464 0.257 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.54 -42.79 51.15 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.137 2.558 . . . . 0.0 113.174 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.536 ' HA3' ' CB ' ' B' ' 48' ' ' ASN . . . -68.38 -29.16 73.01 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.757 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -69.16 -34.89 75.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -67.97 -64.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.534 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -40.03 -44.14 1.69 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.953 -1.021 . . . . 0.0 112.209 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' A' ' 22' ' ' ILE . 39.4 ttm180 -59.74 -49.54 77.32 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.307 0.575 . . . . 0.0 110.125 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.09 -43.63 97.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.454 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.23 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -55.93 -45.25 78.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 122.175 0.988 . . . . 0.0 109.046 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.599 ' OG ' HG21 ' A' ' 22' ' ' ILE . 9.4 m -71.43 -17.52 62.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.482 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.866 ' CD1' HD11 ' A' ' 50' ' ' ILE . 24.8 mt -83.3 -37.05 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.69 -44.02 85.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.931 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.49 -44.23 98.27 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.0 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.85 -42.42 93.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.706 0.289 . . . . 0.0 110.686 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 75' ' ' VAL . 77.7 mttt -63.87 -47.19 81.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.277 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.6 -39.76 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.741 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 72' ' ' LYS . 1.6 p -91.42 -11.94 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.439 . . . . 0.0 110.646 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -91.95 -24.02 19.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.5 m -85.34 136.77 33.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.976 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.969 -0.538 . . . . 0.0 110.251 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -142.46 20.37 2.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.46 -55.16 36.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.66 40.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.065 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TRP . . . . . 0.474 ' CE3' ' HG ' ' B' ' 33' ' ' LEU . 41.2 t90 -78.14 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.988 179.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.474 ' HG ' ' CE3' ' B' ' 32' ' ' TRP . 15.5 mt -57.15 -28.83 63.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.554 ' HD3' ' OE2' ' B' ' 39' ' ' GLU . 3.3 ttp-105 -53.66 -15.89 1.39 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 177.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -35.91 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 109.821 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 pt -124.01 25.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.31 45.77 44.44 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.562 -0.745 . . . . 0.0 113.85 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' B' ' 33' ' ' LEU . 0.6 OUTLIER -121.21 17.15 11.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.993 0.397 . . . . 0.0 111.797 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.554 ' OE2' ' HD3' ' B' ' 34' ' ' ARG . 4.8 pm0 -63.84 -18.57 64.28 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.818 0.342 . . . . 0.0 111.512 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 40' ' ' ARG . 26.6 mtm180 -71.05 -1.56 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.339 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -112.63 -11.56 13.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -48.17 -58.99 3.76 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -45.16 -39.9 6.58 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.455 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.14 92.9 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.098 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -72.89 -41.45 64.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.463 0.173 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.73 -33.39 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -63.35 -14.88 54.76 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 111.575 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' HA3' ' A' ' 59' ' ' GLY . 95.9 m-20 -113.97 11.96 17.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.9 10.79 80.95 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.253 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.56 48.57 1.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.41 0.624 . . . . 0.0 109.678 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -105.77 -12.22 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.575 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -88.65 112.66 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.069 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.64 -30.04 66.99 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -73.08 -52.48 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.707 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -19.61 62.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.799 0.333 . . . . 0.0 110.185 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.69 -17.66 61.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -73.1 -13.02 61.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -106.74 20.35 19.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.67 0.748 . . . . 0.0 109.668 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 11.7 tt -78.28 147.9 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.934 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.1 p -107.24 165.68 11.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.864 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' B' ' 75' ' ' LYS . 5.7 tt0 -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' B' ' 65' ' ' GLU . 26.5 mt-10 -75.68 -41.14 54.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.067 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.02 -47.92 67.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.88 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.464 ' HB3' ' HB ' ' B' ' 69' ' ' VAL . 91.0 mt -52.79 -54.21 37.42 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 110.044 179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.476 ' HG3' ' HG2' ' B' ' 70' ' ' GLN . 2.1 tt0 -45.07 -46.78 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.355 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.84 -14.7 63.19 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.954 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.67 1.74 53.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 110.525 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.16 -15.0 36.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.408 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' B' ' 64' ' ' LEU . 8.5 t -85.85 74.05 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.23 0.538 . . . . 0.0 110.122 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.476 ' HG2' ' HG3' ' B' ' 65' ' ' GLU . 46.0 mt-30 -90.86 -16.28 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.12 129.12 93.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.711 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.38 -47.2 17.72 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.183 2.588 . . . . 0.0 113.539 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.8 91.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.213 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -59.03 -46.26 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' B' ' 61' ' ' GLU . 49.7 mtmt -61.34 -49.18 78.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.0 0.429 . . . . 0.0 109.976 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 48.3 tpt85 -55.44 -46.83 76.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.9 -45.8 93.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.466 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.452 HD13 HD22 ' B' ' 64' ' ' LEU . 0.5 OUTLIER -59.85 -46.65 88.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.748 -179.697 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 mp -57.43 -37.22 72.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.915 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 -36.96 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 0.0 110.45 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -35.67 81.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.245 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 54.2 mt -60.17 -40.9 91.58 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -67.57 -45.48 75.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.215 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -51.44 -50.05 60.5 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.357 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -84.31 -25.69 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.385 0.143 . . . . 0.0 111.385 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.152 0 O-C-N 123.9 0.75 . . . . 0.0 111.277 179.457 . . . . . . . . 1 1 . 1 stop_ save_